Product Name

  • Name

    6-Fluoro-2-methylindole

  • EINECS
  • CAS No. 40311-13-5
  • Article Data8
  • CAS DataBase
  • Density 1.219 g/cm3
  • Solubility
  • Melting Point 100
  • Formula C9H8FN
  • Boiling Point 269.24 °C at 760 mmHg
  • Molecular Weight 149.168
  • Flash Point 116.632 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 40311-13-5 (6-Fluoro-2-methylindole)
  • Hazard Symbols IrritantXi
  • Synonyms 6-Fluoro-2-methylindole;
  • PSA 15.79000
  • LogP 2.61540

Synthetic route

1-(4-fluoro-2-nitrophenyl)propan-2-one
39616-99-4

1-(4-fluoro-2-nitrophenyl)propan-2-one

6-fluoro-2-methyl-1H-indole
40311-13-5

6-fluoro-2-methyl-1H-indole

Conditions
ConditionsYield
With [2,2]bipyridinyl; carbon monoxide; dodecacarbonyltriruthenium(0) In toluene Product distribution / selectivity;97%
With carbon monoxide; cyclopentadienyl iron(II) dicarbonyl dimer In toluene at 120℃; for 9h; Product distribution / selectivity;95%
With carbon monoxide; tin(ll) chloride; bis-triphenylphosphine-palladium(II) chloride In 1,4-dioxane at 120℃; for 9h; Product distribution / selectivity;91%
1-(4-fluoro-2-nitrophenyl)propan-2-one
39616-99-4

1-(4-fluoro-2-nitrophenyl)propan-2-one

1,10-Phenanthroline
66-71-7

1,10-Phenanthroline

6-fluoro-2-methyl-1H-indole
40311-13-5

6-fluoro-2-methyl-1H-indole

Conditions
ConditionsYield
dodecacarbonyltriruthenium(0) In toluene Product distribution / selectivity;94%
1-(4-fluoro-2-nitrophenyl)propan-2-one
39616-99-4

1-(4-fluoro-2-nitrophenyl)propan-2-one

A

6-fluoro-2-methyl-2,3-dihydro-1H-indole

6-fluoro-2-methyl-2,3-dihydro-1H-indole

B

6-fluoro-2-methyl-1H-indole
40311-13-5

6-fluoro-2-methyl-1H-indole

C

6-fluoro-1-hydroxy-2-methylindole

6-fluoro-1-hydroxy-2-methylindole

Conditions
ConditionsYield
With hydrogen; 5%-palladium/activated carbon In butan-1-ol at 100℃; for 24h; Product distribution / selectivity;A 25%
B 70%
C 3%
With hydrogen; 5%-palladium/activated carbon In 2-ethoxy-ethanol at 20℃; for 24h; Product distribution / selectivity;A 11%
B 17%
C 55%
5-fluoro-2-iodoaniline

5-fluoro-2-iodoaniline

6-fluoro-2-methyl-1H-indole
40311-13-5

6-fluoro-2-methyl-1H-indole

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: copper(l) iodide; bis-triphenylphosphine-palladium(II) chloride; triethylamine / -30 - 20 °C
2: copper(l) iodide / N,N-dimethyl-formamide / 1 h / Reflux
View Scheme
5-fluoro-2-prop-1-ynylphenylamine
1383976-65-5

5-fluoro-2-prop-1-ynylphenylamine

6-fluoro-2-methyl-1H-indole
40311-13-5

6-fluoro-2-methyl-1H-indole

Conditions
ConditionsYield
With copper(l) iodide In N,N-dimethyl-formamide for 1h; Reflux;1.1 g
(E)-1-fluoro-4-(2-nitroprop-1-en-1-yl)benzene

(E)-1-fluoro-4-(2-nitroprop-1-en-1-yl)benzene

6-fluoro-2-methyl-1H-indole
40311-13-5

6-fluoro-2-methyl-1H-indole

Conditions
ConditionsYield
With 1,10-Phenanthroline; [(1,10-phenanthroline)Pd](tetrafluoroborate)2; carbon monoxide; triethylamine In acetonitrile at 150℃; under 15001.5 Torr; for 2.5h; Schlenk technique; Inert atmosphere;57 %Spectr.
2-bromo-5-fluoronitrobenzene
446-09-3

2-bromo-5-fluoronitrobenzene

6-fluoro-2-methyl-1H-indole
40311-13-5

6-fluoro-2-methyl-1H-indole

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: caesium carbonate; palladium diacetate; triphenylphosphine / toluene / 5 h / 120 °C / Schlenk technique; Inert atmosphere
2: zinc; acetic acid / ethanol / 4 h / 70 °C / Inert atmosphere
View Scheme
6-fluoro-2-methyl-1H-indole
40311-13-5

6-fluoro-2-methyl-1H-indole

acetophenone
98-86-2

acetophenone

2-methyl-6-fluoro-3-(1-phenylethenyl)-1H-indole
1621004-91-8

2-methyl-6-fluoro-3-(1-phenylethenyl)-1H-indole

Conditions
ConditionsYield
With 4-n-butyl-4-(3-sulfopropyl)thiomorpholinium 1,1-dioxide trifluoromethane sulfonate In neat (no solvent) at 60℃; for 0.25h; Ionic liquid; Green chemistry;95%
6-fluoro-2-methyl-1H-indole
40311-13-5

6-fluoro-2-methyl-1H-indole

2,2,2-trifluoroethyl(2,4,6-trimethylphenyl)iodonium trifluoromethanesulfonate

2,2,2-trifluoroethyl(2,4,6-trimethylphenyl)iodonium trifluoromethanesulfonate

6-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)-1H-indole

6-fluoro-2-methyl-3-(2,2,2-trifluoroethyl)-1H-indole

Conditions
ConditionsYield
With 2,6-di-tert-butyl-pyridine In dichloromethane at 25℃; for 0.166667h; regioselective reaction;94%
2-oxo-propionic acid ethyl ester
617-35-6

2-oxo-propionic acid ethyl ester

6-fluoro-2-methyl-1H-indole
40311-13-5

6-fluoro-2-methyl-1H-indole

ethyl 2-(6-fluoro-2-methyl-1H-indol-3-yl)acrylate

ethyl 2-(6-fluoro-2-methyl-1H-indol-3-yl)acrylate

Conditions
ConditionsYield
With 3-(1,1-dioxido-4-(3-(3-(3-sulfopropyl)-1H-imidazol-3-ium-1-yl)propyl)thiomorpholino-4-ium)propane-1-sulfonate trifluoromethanesulfonate In acetic acid butyl ester at 80℃; for 0.5h; Green chemistry;93%
3-bromo-6-fluoro-2-methyl indole
606092-05-1

3-bromo-6-fluoro-2-methyl indole

6-fluoro-2-methyl-1H-indole
40311-13-5

6-fluoro-2-methyl-1H-indole

3-chlorosuffonyl-1-(N,N-dimethylsulfamoyl)-3-chlorosulfonyl-1,2,4-triazole

3-chlorosuffonyl-1-(N,N-dimethylsulfamoyl)-3-chlorosulfonyl-1,2,4-triazole

tetrabutylammomium bromide
1643-19-2

tetrabutylammomium bromide

3-[(3-bromo-6-fluoro-2-methyl-1H-indol-1-yl)sulfonyl]-N,N-dimethyl-1H-1,2,4-triazole-1-sulfonamide
348635-87-0

3-[(3-bromo-6-fluoro-2-methyl-1H-indol-1-yl)sulfonyl]-N,N-dimethyl-1H-1,2,4-triazole-1-sulfonamide

Conditions
ConditionsYield
With sodium hydroxide In water; toluene91.2%
6-fluoro-2-methyl-1H-indole
40311-13-5

6-fluoro-2-methyl-1H-indole

(S)-6-fluoro-2-methylindoline

(S)-6-fluoro-2-methylindoline

Conditions
ConditionsYield
With hydrogenchloride; chloro(1,5-cyclooctadiene)rhodium(I) dimer; (S,R)-ZhaoPhos; hydrogen; acetic acid In dichloromethane at 25℃; under 30402 Torr; for 48h; Autoclave; enantioselective reaction;90%
6-fluoro-2-methyl-1H-indole
40311-13-5

6-fluoro-2-methyl-1H-indole

2,2-diphenylacetic acid
117-34-0

2,2-diphenylacetic acid

C23H18FN

C23H18FN

Conditions
ConditionsYield
With aluminium(III) triflate; Co(acac)3; hydrogen; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine] at 130℃; under 22502.3 Torr; for 18h; Autoclave; Sealed tube;88%
phenylacetic acid
103-82-2

phenylacetic acid

6-fluoro-2-methyl-1H-indole
40311-13-5

6-fluoro-2-methyl-1H-indole

C17H16FN

C17H16FN

Conditions
ConditionsYield
With aluminium(III) triflate; Co(acac)3; hydrogen; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine] at 160℃; under 22502.3 Torr; for 18h; Autoclave; Sealed tube;70%
6-fluoro-2-methyl-1H-indole
40311-13-5

6-fluoro-2-methyl-1H-indole

(2-nitroethenyl)benzene
102-96-5

(2-nitroethenyl)benzene

C17H15FN2O2

C17H15FN2O2

Conditions
ConditionsYield
With C66H64Ag2N8O4(2+)*2F6P(1-); palladium diacetate In isopropyl alcohol at 30℃; for 24h; Friedel-Crafts Alkylation; Inert atmosphere; Schlenk technique;61%
6-fluoro-2-methyl-1H-indole
40311-13-5

6-fluoro-2-methyl-1H-indole

3-bromo-6-fluoro-2-methyl indole
606092-05-1

3-bromo-6-fluoro-2-methyl indole

Conditions
ConditionsYield
With hydrogen bromide; dimethyl sulfoxide In water; toluene at 18 - 22℃; for 8 - 9h; Product distribution / selectivity;
6-fluoro-2-methyl-1H-indole
40311-13-5

6-fluoro-2-methyl-1H-indole

3-bromo-6-fiuoro-2-methylindole

3-bromo-6-fiuoro-2-methylindole

3-bromo-6-fluoro-2-methyl indole
606092-05-1

3-bromo-6-fluoro-2-methyl indole

Conditions
ConditionsYield
With hydrogen bromide In water; dimethyl sulfoxide; toluene
6-fluoro-2-methyl-1H-indole
40311-13-5

6-fluoro-2-methyl-1H-indole

N-(2-((6-fluoro-2-methyl-1H-indol-3-yl)methyl)phenyl)benzenesulfonamide

N-(2-((6-fluoro-2-methyl-1H-indol-3-yl)methyl)phenyl)benzenesulfonamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: trifluoroacetic acid / 1,2-dichloro-ethane / 12 h / 50 °C
2: pyridine / dichloromethane / 12 h / 0 - 20 °C
View Scheme
6-fluoro-2-methyl-1H-indole
40311-13-5

6-fluoro-2-methyl-1H-indole

6-fluoro-2-methyl-1'-(phenylsulfonyl)spiro[indole-3,2'-indoline]

6-fluoro-2-methyl-1'-(phenylsulfonyl)spiro[indole-3,2'-indoline]

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: trifluoroacetic acid / 1,2-dichloro-ethane / 12 h / 50 °C
2: pyridine / dichloromethane / 12 h / 0 - 20 °C
3: [bis(acetoxy)iodo]benzene / 0.5 h / 20 °C
View Scheme
2-Aminobenzyl alcohol
5344-90-1

2-Aminobenzyl alcohol

6-fluoro-2-methyl-1H-indole
40311-13-5

6-fluoro-2-methyl-1H-indole

C16H15FN2

C16H15FN2

Conditions
ConditionsYield
With trifluoroacetic acid In 1,2-dichloro-ethane at 50℃; for 12h;

6-Fluoro-2-methylindole Specification

The 6-Fluoro-2-methylindole, with the CAS registry number 40311-13-5, is also known as 6-Fluoro-2-methylindole. This chemical's molecular formula is C9H8FN and molecular weight is 149.16. What's more, its IUPAC name is 6-fluoro-2-methyl-1H-indole. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.

Physical properties of 6-Fluoro-2-methylindole are: (1)ACD/LogP: 2.83; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 15.79Å2; (7)Index of Refraction: 1.627; (8)Molar Refractivity: 43.347 cm3; (9)Molar Volume: 122.357 cm3; (10)Polarizability: 17.184×10-24cm3; (11)Surface Tension: 44.196 dyne/cm; (12)Density: 1.219 g/cm3; (13)Flash Point: 116.632 °C; (14)Enthalpy of Vaporization: 48.692 kJ/mol; (15)Boiling Point: 269.24 °C at 760 mmHg; (16)Vapour Pressure: 0.012 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc2c(c1)nc(c2)C
(2)Std. InChI: InChI=1S/C9H8FN/c1-6-4-7-2-3-8(10)5-9(7)11-6/h2-5,11H,1H3
(3)Std. InChIKey: DQDVUUGKFGUZCF-UHFFFAOYSA-N

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View