Product Name

  • Name

    3-FLUORO-2-IODOTOLUENE

  • EINECS
  • CAS No. 883502-14-5
  • Article Data23
  • CAS DataBase
  • Density 1.788 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H6FI
  • Boiling Point 212 °C at 760 mmHg
  • Molecular Weight 236.028
  • Flash Point 85.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 883502-14-5 (3-FLUORO-2-IODOTOLUENE)
  • Hazard Symbols
  • Synonyms 1-Fluoro-2-iodo-3-methylbenzene;2-Iodo-3-fluorotoluene
  • PSA 0.00000
  • LogP 2.73870

Synthetic route

2-fluoro-6-methylaniline
443-89-0

2-fluoro-6-methylaniline

1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

Conditions
ConditionsYield
Stage #1: 2-fluoro-6-methylaniline With hydrogenchloride In water at 0℃; for 0.25h;
Stage #2: With sodium nitrite In water at 0℃; for 1.67h;
Stage #3: With potassium iodide In water at 0℃; for 2.17h;		73%
NH-pyrazole
288-13-1

NH-pyrazole

1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

1-(2-iodo-3-methylphenyl)-1H-pyrazole

1-(2-iodo-3-methylphenyl)-1H-pyrazole

Conditions
ConditionsYield
With potassium phosphate In N,N-dimethyl-formamide at 150℃; for 2h; Microwave irradiation; Inert atmosphere; Schlenk technique;70%
benzimidazole
271-44-3

benzimidazole

1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

1-(2-iodo-3-methylphenyl)-1H-indazole

1-(2-iodo-3-methylphenyl)-1H-indazole

Conditions
ConditionsYield
With potassium phosphate In N,N-dimethyl-formamide at 150℃; for 2h; Microwave irradiation; Inert atmosphere; Schlenk technique;48%
1,2,4-Triazole
288-88-0

1,2,4-Triazole

1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

1-(2-iodo-3-methylphenyl)-1H-1,2,4-triazole

1-(2-iodo-3-methylphenyl)-1H-1,2,4-triazole

Conditions
ConditionsYield
With potassium phosphate In N,N-dimethyl-formamide at 150℃; for 6h; Microwave irradiation; Inert atmosphere; Schlenk technique;31%
1,2,3-Benzotriazole
95-14-7

1,2,3-Benzotriazole

1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

1-(2-iodo-3-methylphenyl)-1H-benzo[d][1,2,3]triazole

1-(2-iodo-3-methylphenyl)-1H-benzo[d][1,2,3]triazole

Conditions
ConditionsYield
With caesium carbonate In N,N-dimethyl-formamide at 150℃; for 5h; Sealed tube; Inert atmosphere; Schlenk technique;19%
zinc(II) cyanide
557-21-1

zinc(II) cyanide

1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

2-fluoro-6-methyl-benzonitrile
198633-76-0

2-fluoro-6-methyl-benzonitrile

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0) In N,N-dimethyl acetamide at 80℃; for 16h; Inert atmosphere;
With tetrakis(triphenylphosphine) palladium(0) In N,N-dimethyl acetamide at 80℃; for 16h; Inert atmosphere;
With tetrakis(triphenylphosphine) palladium(0) In dimethyl amine at 80℃; Inert atmosphere;
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

3-bromo-6-fluoro-2-methyl-benzonitrile
1255207-47-6

3-bromo-6-fluoro-2-methyl-benzonitrile

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
View Scheme
Multi-step reaction with 2 steps
1: tetrakis(triphenylphosphine) palladium(0) / dimethyl amine / 80 °C / Inert atmosphere
2: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 20 °C
View Scheme
Multi-step reaction with 2 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 0 - 20 °C
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

3-ethenyl-6-fluoro-2-methylbenzonitrile
1255207-48-7

3-ethenyl-6-fluoro-2-methylbenzonitrile

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Inert atmosphere; Reflux
View Scheme
Multi-step reaction with 3 steps
1: tetrakis(triphenylphosphine) palladium(0) / dimethyl amine / 80 °C / Inert atmosphere
2: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 20 °C
3: triethylamine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / ethanol / 4 h / Reflux
View Scheme
Multi-step reaction with 3 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 0 - 20 °C
3: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Reflux
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

6-fluoro-2-methyl-3-(oxiran-2-yl)benzonitrile
1255207-46-5

6-fluoro-2-methyl-3-(oxiran-2-yl)benzonitrile

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Inert atmosphere; Reflux
4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C
View Scheme
Multi-step reaction with 4 steps
1: tetrakis(triphenylphosphine) palladium(0) / dimethyl amine / 80 °C / Inert atmosphere
2: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 20 °C
3: triethylamine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / ethanol / 4 h / Reflux
4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 20 °C
View Scheme
Multi-step reaction with 4 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 0 - 20 °C
3: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Reflux
4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

tert-butyl (3S)-4-[2-(3-cyano-4-fluoro-2-methylphenyl)-2-hydroxyethyl]-3-(hydroxymethyl)piperazine-1-carboxylate
1426071-25-1

tert-butyl (3S)-4-[2-(3-cyano-4-fluoro-2-methylphenyl)-2-hydroxyethyl]-3-(hydroxymethyl)piperazine-1-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Inert atmosphere; Reflux
4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C
5: ethanol / 0.5 h / 150 °C / Microwave irradiation
View Scheme
Multi-step reaction with 5 steps
1: tetrakis(triphenylphosphine) palladium(0) / dimethyl amine / 80 °C / Inert atmosphere
2: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 20 °C
3: triethylamine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / ethanol / 4 h / Reflux
4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 20 °C
5: ethanol / 0.5 h / 150 °C / Microwave irradiation
View Scheme
Multi-step reaction with 5 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 0 - 20 °C
3: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Reflux
4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C
5: ethanol / 0.5 h / 150 °C / Microwave irradiation
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

tert-butyl (3R,9aS)-3-(3-cyano-4-fluoro-2-methylphenyl)hexahydropyrazino[2,1-c][1,4]oxazine-8(1H)-carboxylate
1426072-82-3

tert-butyl (3R,9aS)-3-(3-cyano-4-fluoro-2-methylphenyl)hexahydropyrazino[2,1-c][1,4]oxazine-8(1H)-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3.1: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
4.1: N-Bromosuccinimide; water / tetrahydrofuran; 1,4-dioxane / 0.5 h / 0 - 5 °C
5.1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 18 h / 20 °C
6.1: trifluoroacetic acid; triethylsilane / dichloromethane / 24 h / 20 °C
6.2: 2 h / 20 °C
View Scheme
Multi-step reaction with 6 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Inert atmosphere; Reflux
4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C
5: ethanol / 0.5 h / 150 °C / Microwave irradiation
6: cyanomethylenetributyl-phosphorane / benzene / 16 h / 100 °C / Inert atmosphere
View Scheme
Multi-step reaction with 8 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
4: N-Bromosuccinimide; water / tetrahydrofuran; 1,4-dioxane / 0.5 h / 0 - 5 °C
5: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 18 h / 20 °C
6: triethylamine
7: ethyl acetate; hexane / 50 °C
8: hydrogen; 5% Pd-CaCO3 / methanol / 38 h / 40 °C / Inert atmosphere
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

tert-butyl (3S,9aS)-3-(3-cyano-4-fluoro-2-methylphenyl)hexahydropyrazino[2,1-c][1,4]oxazine-8(1H)-carboxylate
1426071-26-2

tert-butyl (3S,9aS)-3-(3-cyano-4-fluoro-2-methylphenyl)hexahydropyrazino[2,1-c][1,4]oxazine-8(1H)-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3.1: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
4.1: N-Bromosuccinimide; water / tetrahydrofuran; 1,4-dioxane / 0.5 h / 0 - 5 °C
5.1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 18 h / 20 °C
6.1: trifluoroacetic acid; triethylsilane / dichloromethane / 24 h / 20 °C
6.2: 2 h / 20 °C
View Scheme
Multi-step reaction with 6 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Inert atmosphere; Reflux
4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C
5: ethanol / 0.5 h / 150 °C / Microwave irradiation
6: cyanomethylenetributyl-phosphorane / benzene / 16 h / 100 °C / Inert atmosphere
View Scheme
Multi-step reaction with 8 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
4: N-Bromosuccinimide; water / tetrahydrofuran; 1,4-dioxane / 0.5 h / 0 - 5 °C
5: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 18 h / 20 °C
6: triethylamine
7: ethyl acetate; hexane / 50 °C
8: hydrogen; 5% Pd-CaCO3 / methanol / 38 h / 40 °C / Inert atmosphere
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

3-(2-bromo-acetyl)-6-fluoro-2-methyl-benzonitrile
1426073-08-6

3-(2-bromo-acetyl)-6-fluoro-2-methyl-benzonitrile

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
4: N-Bromosuccinimide; water / tetrahydrofuran; 1,4-dioxane / 0.5 h / 0 - 5 °C
View Scheme
Multi-step reaction with 3 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / dimethyl amine / 80 °C / Inert atmosphere
2.1: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 20 °C
3.1: bis-triphenylphosphine-palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
3.2: 0.5 h / 0 - 5 °C
View Scheme
Multi-step reaction with 3 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 0 - 20 °C
3.1: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 20 - 100 °C
3.2: 0.75 h / 0 - 5 °C
View Scheme
Multi-step reaction with 3 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / 16 h / 80 °C / Inert atmosphere
2.1: sulfuric acid; N-Bromosuccinimide / 3 h / 0 °C
3.1: bis(triphenylphosphine)palladium(II) dichloride / 1,4-dioxane / 22 h / 100 °C
3.2: 0.75 h / 0 - 5 °C
View Scheme
Multi-step reaction with 3 steps
1.1: bis-triphenylphosphine-palladium(II) chloride; N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: N-Bromosuccinimide; trifluorormethanesulfonic acid / 1 h / 20 °C
3.1: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
3.2: 0.5 h / 0 - 5 °C
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

C12H12FNO

C12H12FNO

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

(3R,9aS)-3-(3-cyano-4-fluoro-2-methyl-phenyl)-3-hydroxy-hexahydro-pyrazino[2,1-c][ 1,4]oxazine-8-carboxylic acid tert-butyl ester
1426073-09-7

(3R,9aS)-3-(3-cyano-4-fluoro-2-methyl-phenyl)-3-hydroxy-hexahydro-pyrazino[2,1-c][ 1,4]oxazine-8-carboxylic acid tert-butyl ester

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
4: N-Bromosuccinimide; water / tetrahydrofuran; 1,4-dioxane / 0.5 h / 0 - 5 °C
5: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 18 h / 20 °C
View Scheme
Multi-step reaction with 4 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / dimethyl amine / 80 °C / Inert atmosphere
2.1: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 20 °C
3.1: bis-triphenylphosphine-palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
3.2: 0.5 h / 0 - 5 °C
4.1: diisopropylamine / tetrahydrofuran / 18 h / 20 °C
View Scheme
Multi-step reaction with 4 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / dimethyl amine / 80 °C / Inert atmosphere
2.1: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 20 °C
3.1: bis-triphenylphosphine-palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
3.2: 0.5 h / 0 - 5 °C
4.1: diisopropylamine / tetrahydrofuran / 18 h / 20 °C
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

(S)-3-(3-cyano-4-fluoro-2-methyl-phenyl)-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylic acid tert-butyl ester
1426073-10-0

(S)-3-(3-cyano-4-fluoro-2-methyl-phenyl)-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxylic acid tert-butyl ester

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
4: N-Bromosuccinimide; water / tetrahydrofuran; 1,4-dioxane / 0.5 h / 0 - 5 °C
5: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 18 h / 20 °C
6: triethylamine
7: ethyl acetate; hexane / 50 °C
View Scheme
Multi-step reaction with 5 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / dimethyl amine / 80 °C / Inert atmosphere
2.1: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 20 °C
3.1: bis-triphenylphosphine-palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
3.2: 0.5 h / 0 - 5 °C
4.1: diisopropylamine / tetrahydrofuran / 18 h / 20 °C
5.1: triethylamine / dichloromethane / 0.5 h / 20 °C
View Scheme
Multi-step reaction with 5 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / dimethyl amine / 80 °C / Inert atmosphere
2.1: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 20 °C
3.1: bis-triphenylphosphine-palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
3.2: 0.5 h / 0 - 5 °C
4.1: diisopropylamine / tetrahydrofuran / 18 h / 20 °C
5.1: triethylamine / dichloromethane / 0.5 h / 20 °C
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

C21H28FN3O6S

C21H28FN3O6S

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
4: N-Bromosuccinimide; water / tetrahydrofuran; 1,4-dioxane / 0.5 h / 0 - 5 °C
5: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 18 h / 20 °C
6: triethylamine
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

tert-butyl (3R)-4-[2-(3-cyano-4-fluoro-2-methylphenyl)-2-hydroxylethyl]-3-(hydroxymethyl)piperazine-1-carboxylate
1426071-27-3

tert-butyl (3R)-4-[2-(3-cyano-4-fluoro-2-methylphenyl)-2-hydroxylethyl]-3-(hydroxymethyl)piperazine-1-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Inert atmosphere; Reflux
4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C
5: ethanol / 1 h / 150 °C / Microwave irradiation
View Scheme
Multi-step reaction with 5 steps
1: tetrakis(triphenylphosphine) palladium(0) / dimethyl amine / 80 °C / Inert atmosphere
2: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 20 °C
3: triethylamine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / ethanol / 4 h / Reflux
4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 20 °C
5: ethanol / 1 h / 150 °C / Microwave irradiation
View Scheme
Multi-step reaction with 5 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 0 - 20 °C
3: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Reflux
4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C
5: ethanol / 1 h / 150 °C / Microwave irradiation
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

A

tert-butyl (3S,9aR)-3-(3-cyano-4-fluoro-2-methylphenyl)hexahydropyrazino[2,1-c][1,4]oxazine-8(1H)-carboxylate
1426072-83-4

tert-butyl (3S,9aR)-3-(3-cyano-4-fluoro-2-methylphenyl)hexahydropyrazino[2,1-c][1,4]oxazine-8(1H)-carboxylate

B

tert-butyl (3R,9aR)-3-(3-cyano-4-fluoro-2-methylphenyl)hexahydropyrazino[2,1-c][1,4]oxazine-8(1H)-carboxylate
1426072-84-5

tert-butyl (3R,9aR)-3-(3-cyano-4-fluoro-2-methylphenyl)hexahydropyrazino[2,1-c][1,4]oxazine-8(1H)-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3.1: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
4.1: N-Bromosuccinimide; water / tetrahydrofuran; 1,4-dioxane / 0.5 h / 0 - 5 °C
5.1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 18 h / 20 °C
6.1: trifluoroacetic acid; triethylsilane / dichloromethane / 12 h / 20 °C
6.2: 2 h / 20 °C
View Scheme
Multi-step reaction with 6 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Inert atmosphere; Reflux
4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C
5: ethanol / 1 h / 150 °C / Microwave irradiation
6: cyanomethylenetributyl-phosphorane / benzene / 100 °C
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

(3S,9aR)-3-(3-cyano-4-fluoro-2-methyl-phenyl)-3-hydroxy-hexahydro-pyrazino[2,1-c][1,4]oxazine-8-carboxylic acid tert-butyl ester
1426073-11-1

(3S,9aR)-3-(3-cyano-4-fluoro-2-methyl-phenyl)-3-hydroxy-hexahydro-pyrazino[2,1-c][1,4]oxazine-8-carboxylic acid tert-butyl ester

Conditions
ConditionsYield
Multi-step reaction with 5 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
4: N-Bromosuccinimide; water / tetrahydrofuran; 1,4-dioxane / 0.5 h / 0 - 5 °C
5: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 18 h / 20 °C
View Scheme
Multi-step reaction with 4 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / 16 h / 80 °C / Inert atmosphere
2.1: sulfuric acid; N-Bromosuccinimide / 3 h / 0 °C
3.1: bis(triphenylphosphine)palladium(II) dichloride / 1,4-dioxane / 22 h / 100 °C
3.2: 0.75 h / 0 - 5 °C
4.1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 18 h / 20 °C
View Scheme
Multi-step reaction with 5 steps
1: bis-triphenylphosphine-palladium(II) chloride; N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: N-Bromosuccinimide; trifluorormethanesulfonic acid / 1 h / 20 °C
3: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Reflux
4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 20 °C
5: 18 h / 20 °C
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

(3S)-benzyl 4-(2-(3-cyano-4-fluoro-2-methylphenyl)-2-hydroxyethyl)-3-(hydroxymethyl)piperazine-1-carboxylate
1426071-28-4

(3S)-benzyl 4-(2-(3-cyano-4-fluoro-2-methylphenyl)-2-hydroxyethyl)-3-(hydroxymethyl)piperazine-1-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 6 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Inert atmosphere; Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
6.2: 1 h / 0 °C
View Scheme
Multi-step reaction with 6 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / dimethyl amine / 80 °C / Inert atmosphere
2.1: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 20 °C
3.1: triethylamine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / ethanol / 4 h / Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: dichloromethane; trifluoroacetic acid / 1 h / 20 °C
6.2: 1 h / 0 °C
View Scheme
Multi-step reaction with 6 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 0 - 20 °C
3.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
6.2: 1 h / 0 °C
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

(7R,9aR)-benzyl 8-allyl-7-(3-cyano-4-fluoro-2-methylphenyl)hexahydro-1H-pyrazino[1,2-a]pyrazine-2(6H)-carboxylate
1426072-85-6

(7R,9aR)-benzyl 8-allyl-7-(3-cyano-4-fluoro-2-methylphenyl)hexahydro-1H-pyrazino[1,2-a]pyrazine-2(6H)-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Inert atmosphere; Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: thionyl chloride / 1 h / 90 °C
7.2: 1 h / 0 - 90 °C / Sealed tube
View Scheme
Multi-step reaction with 7 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / dimethyl amine / 80 °C / Inert atmosphere
2.1: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 20 °C
3.1: triethylamine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / ethanol / 4 h / Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: dichloromethane; trifluoroacetic acid / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: sulfuryl dichloride / 1 h / 90 °C
7.2: 1 h / 90 °C / Sealed tube
View Scheme
Multi-step reaction with 7 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 0 - 20 °C
3.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: 1 h / 90 °C
7.2: 1 h / 0 - 90 °C / Sealed tube
View Scheme
Multi-step reaction with 7 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / 16 h / 80 °C / Inert atmosphere
2.1: sulfuric acid; N-Bromosuccinimide / 3 h / 0 °C
3.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 12 h / 0 - 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: chlorosulphone / 1 h / 90 °C
7.2: 1 h / 0 - 90 °C / Sealed tube
View Scheme
Multi-step reaction with 7 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / 16 h / 80 °C / Inert atmosphere
2.1: sulfuric acid; N-Bromosuccinimide / 3 h / 0 °C
3.1: lithium chloride; tetrakis(triphenylphosphine) palladium(0) / toluene / 100 - 110 °C / Inert atmosphere
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 12 h / 0 - 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: chlorosulphone / 1 h / 90 °C
7.2: 1 h / 0 - 90 °C / Sealed tube
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

(7S,9aR)-benzyl 8-allyl-7-(3-cyano-4-fluoro-2-methylphenyl)hexahydro-1H-pyrazino[1,2-a]pyrazine-2(6H)-carboxylate
1426072-86-7

(7S,9aR)-benzyl 8-allyl-7-(3-cyano-4-fluoro-2-methylphenyl)hexahydro-1H-pyrazino[1,2-a]pyrazine-2(6H)-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Inert atmosphere; Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: thionyl chloride / 1 h / 90 °C
7.2: 1 h / 0 - 90 °C / Sealed tube
View Scheme
Multi-step reaction with 7 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / dimethyl amine / 80 °C / Inert atmosphere
2.1: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 20 °C
3.1: triethylamine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / ethanol / 4 h / Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: dichloromethane; trifluoroacetic acid / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: sulfuryl dichloride / 1 h / 90 °C
7.2: 1 h / 90 °C / Sealed tube
View Scheme
Multi-step reaction with 7 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / 16 h / 80 °C / Inert atmosphere
2.1: sulfuric acid; N-Bromosuccinimide / 3 h / 0 °C
3.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 12 h / 0 - 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: chlorosulphone / 1 h / 90 °C
7.2: 1 h / 0 - 90 °C / Sealed tube
View Scheme
Multi-step reaction with 7 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / 16 h / 80 °C / Inert atmosphere
2.1: sulfuric acid; N-Bromosuccinimide / 3 h / 0 °C
3.1: lithium chloride; tetrakis(triphenylphosphine) palladium(0) / toluene / 100 - 110 °C / Inert atmosphere
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 12 h / 0 - 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: chlorosulphone / 1 h / 90 °C
7.2: 1 h / 0 - 90 °C / Sealed tube
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

(3R,9aS)-8-benzyl 2-tert-butyl 3-(3-cyano-4-fluoro-2-methylphenyl)tetrahydro-1H-pyrazino[1,2-a]pyrazine-2,8-(9H,9aH)-dicarboxylate
1426071-29-5

(3R,9aS)-8-benzyl 2-tert-butyl 3-(3-cyano-4-fluoro-2-methylphenyl)tetrahydro-1H-pyrazino[1,2-a]pyrazine-2,8-(9H,9aH)-dicarboxylate

Conditions
ConditionsYield
Multi-step reaction with 8 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Inert atmosphere; Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: thionyl chloride / 1 h / 90 °C
7.2: 1 h / 0 - 90 °C / Sealed tube
8.1: 1,3-dimethylbarbituric acid; tetrakis(triphenylphosphine) palladium(0) / dichloromethane / 4 h / 35 °C
8.2: 20 °C
View Scheme
Multi-step reaction with 8 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / dimethyl amine / 80 °C / Inert atmosphere
2.1: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 20 °C
3.1: triethylamine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / ethanol / 4 h / Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: dichloromethane; trifluoroacetic acid / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: sulfuryl dichloride / 1 h / 90 °C
7.2: 1 h / 90 °C / Sealed tube
8.1: 1,3-dimethylbarbituric acid; tetrakis(triphenylphosphine) palladium(0) / dichloromethane / 4 h / 35 °C
8.2: 20 °C
View Scheme
Multi-step reaction with 8 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 0 - 20 °C
3.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: 1 h / 90 °C
7.2: 1 h / 0 - 90 °C / Sealed tube
8.1: 1,3-dimethylbarbituric acid; tetrakis(triphenylphosphine) palladium(0) / dichloromethane / 4 h / 35 °C
8.2: 20 °C
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

(3R,9aS)-tert-butyl 3-(3-cyano-4-fluoro-2-methylphenyl)hexahydro-1H-pyrazino [1,2-a]pyrazine-2(6H)-carboxylate
1426071-30-8

(3R,9aS)-tert-butyl 3-(3-cyano-4-fluoro-2-methylphenyl)hexahydro-1H-pyrazino [1,2-a]pyrazine-2(6H)-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 9 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Inert atmosphere; Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: thionyl chloride / 1 h / 90 °C
7.2: 1 h / 0 - 90 °C / Sealed tube
8.1: 1,3-dimethylbarbituric acid; tetrakis(triphenylphosphine) palladium(0) / dichloromethane / 4 h / 35 °C
8.2: 20 °C
9.1: hydrogen; palladium 10% on activated carbon / methanol / 20 °C
View Scheme
Multi-step reaction with 9 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / dimethyl amine / 80 °C / Inert atmosphere
2.1: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 20 °C
3.1: triethylamine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / ethanol / 4 h / Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: dichloromethane; trifluoroacetic acid / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: sulfuryl dichloride / 1 h / 90 °C
7.2: 1 h / 90 °C / Sealed tube
8.1: 1,3-dimethylbarbituric acid; tetrakis(triphenylphosphine) palladium(0) / dichloromethane / 4 h / 35 °C
8.2: 20 °C
9.1: palladium 10% on activated carbon / methanol / 20 °C
View Scheme
Multi-step reaction with 9 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 0 - 20 °C
3.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: 1 h / 90 °C
7.2: 1 h / 0 - 90 °C / Sealed tube
8.1: 1,3-dimethylbarbituric acid; tetrakis(triphenylphosphine) palladium(0) / dichloromethane / 4 h / 35 °C
8.2: 20 °C
9.1: palladium 10% on activated carbon; hydrogen / methanol / 20 °C
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

(3S,9aS)-8-benzyl 2-tert-butyl 3-(3-cyano-4-fluoro-2-methylphenyl)tetrahydro-1H-pyrazino[1,2-a]pyrazine-2,8 (9H,9aH)-dicarboxylate
1426071-31-9

(3S,9aS)-8-benzyl 2-tert-butyl 3-(3-cyano-4-fluoro-2-methylphenyl)tetrahydro-1H-pyrazino[1,2-a]pyrazine-2,8 (9H,9aH)-dicarboxylate

Conditions
ConditionsYield
Multi-step reaction with 8 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Inert atmosphere; Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: thionyl chloride / 1 h / 90 °C
7.2: 1 h / 0 - 90 °C / Sealed tube
8.1: 1,3-dimethylbarbituric acid; tetrakis(triphenylphosphine) palladium(0) / dichloromethane / 4 h / 35 °C
8.2: 20 °C
View Scheme
Multi-step reaction with 8 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / dimethyl amine / 80 °C / Inert atmosphere
2.1: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 20 °C
3.1: triethylamine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / ethanol / 4 h / Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: dichloromethane; trifluoroacetic acid / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: sulfuryl dichloride / 1 h / 90 °C
7.2: 1 h / 90 °C / Sealed tube
8.1: 1,3-dimethylbarbituric acid; tetrakis(triphenylphosphine) palladium(0) / dichloromethane / 4 h / 35 °C
8.2: 20 °C
View Scheme
Multi-step reaction with 8 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / 16 h / 80 °C / Inert atmosphere
2.1: sulfuric acid; N-Bromosuccinimide / 3 h / 0 °C
3.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 12 h / 0 - 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: chlorosulphone / 1 h / 90 °C
7.2: 1 h / 0 - 90 °C / Sealed tube
8.1: tetrakis(triphenylphosphine) palladium(0); 1,3-dimethylbarbituric acid / dichloromethane / 4 h / 35 °C
8.2: 20 °C
View Scheme
Multi-step reaction with 8 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / 16 h / 80 °C / Inert atmosphere
2.1: sulfuric acid; N-Bromosuccinimide / 3 h / 0 °C
3.1: lithium chloride; tetrakis(triphenylphosphine) palladium(0) / toluene / 100 - 110 °C / Inert atmosphere
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 12 h / 0 - 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: chlorosulphone / 1 h / 90 °C
7.2: 1 h / 0 - 90 °C / Sealed tube
8.1: tetrakis(triphenylphosphine) palladium(0); 1,3-dimethylbarbituric acid / dichloromethane / 4 h / 35 °C
8.2: 20 °C
View Scheme
Multi-step reaction with 8 steps
1.1: bis-triphenylphosphine-palladium(II) chloride; N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: N-Bromosuccinimide; trifluorormethanesulfonic acid / 1 h / 20 °C
3.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: thionyl chloride / 1 h / 90 °C
7.2: 1 h / 90 °C / Sealed tube
8.1: 1,3-dimethylbarbituric acid; tetrakis(triphenylphosphine) palladium(0) / dichloromethane / 34 °C
8.2: 20 °C
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

(3S,9aS)-tert-butyl 3-(3-cyano-4-fluoro-2-methylphenyl)hexahydro-1H-pyrazino[1,2-a ]pyrazine-2(6H)-carboxylate
1426071-32-0

(3S,9aS)-tert-butyl 3-(3-cyano-4-fluoro-2-methylphenyl)hexahydro-1H-pyrazino[1,2-a ]pyrazine-2(6H)-carboxylate

Conditions
ConditionsYield
Multi-step reaction with 9 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Inert atmosphere; Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: thionyl chloride / 1 h / 90 °C
7.2: 1 h / 0 - 90 °C / Sealed tube
8.1: 1,3-dimethylbarbituric acid; tetrakis(triphenylphosphine) palladium(0) / dichloromethane / 4 h / 35 °C
8.2: 20 °C
9.1: hydrogen; palladium 10% on activated carbon / methanol / 20 °C
View Scheme
Multi-step reaction with 9 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / dimethyl amine / 80 °C / Inert atmosphere
2.1: N-Bromosuccinimide / trifluorormethanesulfonic acid / 1 h / 20 °C
3.1: triethylamine; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 / ethanol / 4 h / Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: dichloromethane; trifluoroacetic acid / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: sulfuryl dichloride / 1 h / 90 °C
7.2: 1 h / 90 °C / Sealed tube
8.1: 1,3-dimethylbarbituric acid; tetrakis(triphenylphosphine) palladium(0) / dichloromethane / 4 h / 35 °C
8.2: 20 °C
9.1: palladium 10% on activated carbon / methanol / 20 °C
View Scheme
Multi-step reaction with 9 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / 16 h / 80 °C / Inert atmosphere
2.1: sulfuric acid; N-Bromosuccinimide / 3 h / 0 °C
3.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 12 h / 0 - 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: chlorosulphone / 1 h / 90 °C
7.2: 1 h / 0 - 90 °C / Sealed tube
8.1: tetrakis(triphenylphosphine) palladium(0); 1,3-dimethylbarbituric acid / dichloromethane / 4 h / 35 °C
8.2: 20 °C
9.1: hydrogen; palladium 10% on activated carbon / methanol / 20 °C
View Scheme
Multi-step reaction with 9 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / 16 h / 80 °C / Inert atmosphere
2.1: sulfuric acid; N-Bromosuccinimide / 3 h / 0 °C
3.1: lithium chloride; tetrakis(triphenylphosphine) palladium(0) / toluene / 100 - 110 °C / Inert atmosphere
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 12 h / 0 - 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: chlorosulphone / 1 h / 90 °C
7.2: 1 h / 0 - 90 °C / Sealed tube
8.1: tetrakis(triphenylphosphine) palladium(0); 1,3-dimethylbarbituric acid / dichloromethane / 4 h / 35 °C
8.2: 20 °C
9.1: hydrogen; palladium 10% on activated carbon / methanol / 20 °C
View Scheme
Multi-step reaction with 9 steps
1.1: bis-triphenylphosphine-palladium(II) chloride; N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: N-Bromosuccinimide; trifluorormethanesulfonic acid / 1 h / 20 °C
3.1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Reflux
4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 20 °C
5.1: ethanol / 0.5 h / 150 °C / Microwave irradiation
6.1: trifluoroacetic acid / dichloromethane / 1 h / 20 °C
6.2: 1 h / 0 °C
7.1: thionyl chloride / 1 h / 90 °C
7.2: 1 h / 90 °C / Sealed tube
8.1: 1,3-dimethylbarbituric acid; tetrakis(triphenylphosphine) palladium(0) / dichloromethane / 34 °C
8.2: 20 °C
9.1: palladium 10% on activated carbon; hydrogen / methanol / 20 °C
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

6-fluoro-2-methyl-3-[(3S,9aS)-octahydropyrazino[2,1-c][1,4]oxazin-3-yl]benzonitrile 2,2,2-trifluoroacetate
1426072-49-2

6-fluoro-2-methyl-3-[(3S,9aS)-octahydropyrazino[2,1-c][1,4]oxazin-3-yl]benzonitrile 2,2,2-trifluoroacetate

Conditions
ConditionsYield
Multi-step reaction with 7 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3.1: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
4.1: N-Bromosuccinimide; water / tetrahydrofuran; 1,4-dioxane / 0.5 h / 0 - 5 °C
5.1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 18 h / 20 °C
6.1: trifluoroacetic acid; triethylsilane / dichloromethane / 24 h / 20 °C
6.2: 2 h / 20 °C
7.1: 1 h / 20 °C
View Scheme
Multi-step reaction with 7 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3.1: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
4.1: N-Bromosuccinimide; water / tetrahydrofuran; 1,4-dioxane / 0.5 h / 0 - 5 °C
5.1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 18 h / 20 °C
6.1: trifluoroacetic acid; triethylsilane / dichloromethane / 24 h / 20 °C
6.2: 2 h / 20 °C
7.1: 1 h / 20 °C
View Scheme
Multi-step reaction with 7 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / ethanol / 4 h / Inert atmosphere; Reflux
4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 72 h / 0 - 20 °C
5: ethanol / 0.5 h / 150 °C / Microwave irradiation
6: cyanomethylenetributyl-phosphorane / benzene / 16 h / 100 °C / Inert atmosphere
7: 1 h / 20 °C
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

3-((3S,9aS)-8-(2-(5-(1H-tetrazol-1-yl)pyridin-2-yl)acetyl)octahydropyrazino[2,1-c][1,4]oxazin-3-yl)-6-fluoro-2-methylbenzonitrile
1443735-03-2

3-((3S,9aS)-8-(2-(5-(1H-tetrazol-1-yl)pyridin-2-yl)acetyl)octahydropyrazino[2,1-c][1,4]oxazin-3-yl)-6-fluoro-2-methylbenzonitrile

Conditions
ConditionsYield
Multi-step reaction with 10 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3.1: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
4.1: N-Bromosuccinimide; water / tetrahydrofuran; 1,4-dioxane / 0.5 h / 0 - 5 °C
5.1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 18 h / 20 °C
6.1: triethylamine
7.1: ethyl acetate; hexane / 50 °C
8.1: hydrogen; 5% Pd-CaCO3 / methanol / 38 h / 40 °C / Inert atmosphere
9.1: 1 h / 20 °C
10.1: triethylamine / dichloromethane / 0.08 h
10.2: 2 h
View Scheme
Multi-step reaction with 10 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3.1: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
4.1: N-Bromosuccinimide; water / tetrahydrofuran; 1,4-dioxane / 0.5 h / 0 - 5 °C
5.1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 18 h / 20 °C
6.1: triethylamine
7.1: ethyl acetate; hexane / 50 °C
8.1: hydrogen; 5% Pd-CaCO3 / methanol / 38 h / 40 °C / Inert atmosphere
9.1: 1 h / 20 °C
10.1: triethylamine / dichloromethane / 0.08 h
10.2: 2 h
View Scheme
Multi-step reaction with 8 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3.1: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
4.1: N-Bromosuccinimide; water / tetrahydrofuran; 1,4-dioxane / 0.5 h / 0 - 5 °C
5.1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 18 h / 20 °C
6.1: trifluoroacetic acid; triethylsilane / dichloromethane / 24 h / 20 °C
6.2: 2 h / 20 °C
7.1: 1 h / 20 °C
8.1: triethylamine / dichloromethane / 0.08 h
8.2: 2 h
View Scheme
1-fluoro-2-iodo-3-methylbenzene
883502-14-5

1-fluoro-2-iodo-3-methylbenzene

6-fluoro-2-methyl-3-[(3S,9aS)-8-{[6-(1H-tetrazol-1-yl)pyridin-3-yl]acetyl}octahydropyrazino[2,1-c][1,4]oxazin-3-yl]benzonitrile
1443735-04-3

6-fluoro-2-methyl-3-[(3S,9aS)-8-{[6-(1H-tetrazol-1-yl)pyridin-3-yl]acetyl}octahydropyrazino[2,1-c][1,4]oxazin-3-yl]benzonitrile

Conditions
ConditionsYield
Multi-step reaction with 10 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
4: N-Bromosuccinimide; water / tetrahydrofuran; 1,4-dioxane / 0.5 h / 0 - 5 °C
5: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 18 h / 20 °C
6: triethylamine
7: ethyl acetate; hexane / 50 °C
8: hydrogen; 5% Pd-CaCO3 / methanol / 38 h / 40 °C / Inert atmosphere
9: 1 h / 20 °C
10: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; 4-methyl-morpholine / dichloromethane / 4 h / 20 °C
View Scheme
Multi-step reaction with 10 steps
1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
4: N-Bromosuccinimide; water / tetrahydrofuran; 1,4-dioxane / 0.5 h / 0 - 5 °C
5: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 18 h / 20 °C
6: triethylamine
7: ethyl acetate; hexane / 50 °C
8: hydrogen; 5% Pd-CaCO3 / methanol / 38 h / 40 °C / Inert atmosphere
9: 1 h / 20 °C
10: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; 4-methyl-morpholine / dichloromethane / 4 h / 20 °C
View Scheme
Multi-step reaction with 8 steps
1.1: tetrakis(triphenylphosphine) palladium(0) / N,N-dimethyl acetamide / 16 h / 80 °C / Inert atmosphere
2.1: trifluorormethanesulfonic acid; N-Bromosuccinimide / 1 h / 0 - 20 °C
3.1: bis(triphenylphosphine)palladium(II) chloride / 1,4-dioxane / 22 h / 100 °C
4.1: N-Bromosuccinimide; water / tetrahydrofuran; 1,4-dioxane / 0.5 h / 0 - 5 °C
5.1: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 18 h / 20 °C
6.1: trifluoroacetic acid; triethylsilane / dichloromethane / 24 h / 20 °C
6.2: 2 h / 20 °C
7.1: 1 h / 20 °C
8.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol; 4-methyl-morpholine / dichloromethane / 4 h / 20 °C
View Scheme

3-Fluoro-2-iodotoluene Specification

This chemical is called Benzene, 1-fluoro-2-iodo-3-methyl-, and its systematic name is 1-Fluoro-2-iodo-3-methylbenzene. With the molecular formula of C7H6FI, its molecular weight is 236.03. The CAS registry number of this chemical is 883502-14-5.

Other characteristics of the Benzene, 1-fluoro-2-iodo-3-methyl- can be summarised as followings: (1)ACD/LogP: 3.68; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 0 Å2; (7)Index of Refraction: 1.58; (8)Molar Refractivity: 43.97 cm3; (9)Molar Volume: 131.9 cm3; (10)Polarizability: 17.43×10-24cm3; (11)Surface Tension: 37.9 dyne/cm; (12)Density: 1.788 g/cm3; (13)Flash Point: 85.2 °C; (14)Enthalpy of Vaporization: 43 kJ/mol; (15)Boiling Point: 212 °C at 760 mmHg; (16)Vapour Pressure: 0.258 mmHg at 25°C.  

You can still convert the following datas into molecular structure: 
1.SMILES: Fc1cccc(c1I)C
2.InChI: InChI=1/C7H6FI/c1-5-3-2-4-6(8)7(5)9/h2-4H,1H3
3.InChIKey: WXHRYDHCFKJKKO-UHFFFAOYAG

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