Product Name

  • Name

    3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride

  • EINECS 224-723-8
  • CAS No. 4462-55-9
  • Article Data11
  • CAS DataBase
  • Density 1.472 g/cm3
  • Solubility 22.98mg/L at 25℃
  • Melting Point 92 °C
  • Formula C11H6Cl3NO2
  • Boiling Point 390.9 °C at 760 mmHg
  • Molecular Weight 290.533
  • Flash Point 190.2 °C
  • Transport Information
  • Appearance Yellow to brown powder
  • Safety 26-36/37/39-45-36/37/39/45
  • Risk Codes 34
  • Molecular Structure Molecular Structure of 4462-55-9 (3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride)
  • Hazard Symbols CorrosiveC
  • Synonyms 3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylcarbonylchloride;
  • PSA 43.10000
  • LogP 4.33580

Synthetic route

3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid
3919-76-4

3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

Conditions
ConditionsYield
With thionyl chloride; N,N-dimethyl-formamide at 60℃;94%
With phosphorus pentachloride at 45℃; for 1h;84%
With thionyl chloride
2,6-dichlorobenzaldehyde
83-38-5

2,6-dichlorobenzaldehyde

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: (i) NH2OH, (ii) Cl2, CHCl3, (iii) /BRN= 506727/, MeOH
2: aq. KOH / ethanol
3: SOCl2
View Scheme
Multi-step reaction with 5 steps
1.1: hydroxylamine sulfate / methanol / 0.5 h
1.2: 0.5 h / pH 8 - 9 / Reflux
2.1: chlorine / methanol / 0 - 5 °C
3.1: sodium hydroxide / methanol / 0.5 h / 0 - 5 °C / pH 10
3.2: 2 h / 0 - 20 °C / pH 9
4.1: water; sodium hydroxide / methanol / 1 h / pH 11 - 13 / Reflux
5.1: phosphorus pentachloride / 1 h / 45 °C
View Scheme
Multi-step reaction with 2 steps
1.1: hydroxylamine sulfate / methanol / 1 h / 20 - 40 °C
1.2: 24 h / 0 - 20 °C / pH ~ 9.5 / Inert atmosphere
1.3: pH ~ 7 - 7.5
2.1: phosphorus pentachloride / toluene
View Scheme
Multi-step reaction with 5 steps
1: hydroxylamine hydrochloride; sodium hydroxide / water; ethanol / 0 - 90 °C
2: N-chloro-succinimide / N,N-dimethyl-formamide / 2 h / 20 °C
3: triethylamine / dichloromethane / 0 - 20 °C
4: lithium hydroxide monohydrate; water / ethanol / 50 °C
5: thionyl chloride; N,N-dimethyl-formamide / 60 °C
View Scheme
SPB 06193

SPB 06193

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: aq. KOH / ethanol
2: SOCl2
View Scheme
Multi-step reaction with 2 steps
1: water; sodium hydroxide / methanol / 1 h / pH 11 - 13 / Reflux
2: phosphorus pentachloride / 1 h / 45 °C
View Scheme
Multi-step reaction with 2 steps
1: sodium hydroxide / water; methanol / 3 h
2: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 40 °C
View Scheme
2,6-dichlorobenzohydroximoyl chloride
6579-27-7

2,6-dichlorobenzohydroximoyl chloride

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sodium hydroxide / methanol / 0.5 h / 0 - 5 °C / pH 10
1.2: 2 h / 0 - 20 °C / pH 9
2.1: water; sodium hydroxide / methanol / 1 h / pH 11 - 13 / Reflux
3.1: phosphorus pentachloride / 1 h / 45 °C
View Scheme
Multi-step reaction with 3 steps
1: triethylamine / dichloromethane / 0 - 20 °C
2: lithium hydroxide monohydrate; water / ethanol / 50 °C
3: thionyl chloride; N,N-dimethyl-formamide / 60 °C
View Scheme
2,6-dichlorobenzaldoxime
25185-95-9

2,6-dichlorobenzaldoxime

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: chlorine / methanol / 0 - 5 °C
2.1: sodium hydroxide / methanol / 0.5 h / 0 - 5 °C / pH 10
2.2: 2 h / 0 - 20 °C / pH 9
3.1: water; sodium hydroxide / methanol / 1 h / pH 11 - 13 / Reflux
4.1: phosphorus pentachloride / 1 h / 45 °C
View Scheme
Multi-step reaction with 4 steps
1: N-chloro-succinimide / N,N-dimethyl-formamide / 2 h / 20 °C
2: triethylamine / dichloromethane / 0 - 20 °C
3: lithium hydroxide monohydrate; water / ethanol / 50 °C
4: thionyl chloride; N,N-dimethyl-formamide / 60 °C
View Scheme
ethyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
24248-21-3

ethyl 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: lithium hydroxide monohydrate; water / ethanol / 50 °C
2: thionyl chloride; N,N-dimethyl-formamide / 60 °C
View Scheme
6-Aminopenicillanic Acid
551-16-6

6-Aminopenicillanic Acid

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

sodium dicloxacillin
343-55-5

sodium dicloxacillin

Conditions
ConditionsYield
Stage #1: 6-Aminopenicillanic Acid With sodium hydroxide In water at 0 - 5℃; for 0.333333h;
Stage #2: 3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride In acetone at 5℃; for 1h; pH=7;
Stage #3: With sodium 2-ethylhexanoic acid In isopropyl alcohol at 30℃; for 0.5h; Temperature; Solvent;		80.21%
With ammonium hydroxide In ethyl acetate pH=2 - 8;
propargyl alcohol
107-19-7

propargyl alcohol

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

prop-2-ynyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate
661452-05-7

prop-2-ynyl 3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxylate

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃; for 2h;79%
3,4-dihydro-6-t-butyl-2H-1,4-benzoxazine
937681-62-4

3,4-dihydro-6-t-butyl-2H-1,4-benzoxazine

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

C23H22Cl2N2O3

C23H22Cl2N2O3

Conditions
ConditionsYield
With potassium carbonate In toluene at 40℃; for 0.416667h; Microwave irradiation;70%
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

3,4-dihydro-7-methyl-2H-1,4-benzoxazine
71472-58-7

3,4-dihydro-7-methyl-2H-1,4-benzoxazine

C20H16Cl2N2O3

C20H16Cl2N2O3

Conditions
ConditionsYield
With potassium carbonate In toluene at 40℃; for 0.416667h; Microwave irradiation;60%
6-bromo-3, 4-dihydro-2H-benzo[β][1, 4]oxazine
105655-01-4

6-bromo-3, 4-dihydro-2H-benzo[β][1, 4]oxazine

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

C19H13BrCl2N2O3

C19H13BrCl2N2O3

Conditions
ConditionsYield
With potassium carbonate In toluene at 40℃; for 0.416667h; Microwave irradiation;55%
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

6-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazine
70558-11-1

6-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazine

C19H13Cl3N2O3

C19H13Cl3N2O3

Conditions
ConditionsYield
With potassium carbonate In toluene at 40℃; for 0.416667h; Microwave irradiation;54%
1,4-benzoxazine
5735-53-5

1,4-benzoxazine

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

C19H14Cl2N2O3

C19H14Cl2N2O3

Conditions
ConditionsYield
With potassium carbonate In toluene at 40℃; for 0.416667h; Microwave irradiation;53%
2-amino-6-ethylbenzo[d]thiazole
21224-16-8

2-amino-6-ethylbenzo[d]thiazole

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

3-(2,6-dichlorophenyl)-N-(6-ethylbenzo[d]thiazol-2-yl)-5-methylisoxazole-4-carboxamide

3-(2,6-dichlorophenyl)-N-(6-ethylbenzo[d]thiazol-2-yl)-5-methylisoxazole-4-carboxamide

Conditions
ConditionsYield
With triethylamine In dichloromethane; N,N-dimethyl-formamide at 0 - 60℃; for 18.5h; Inert atmosphere;51%
anthranilic acid allyl ester
7493-63-2

anthranilic acid allyl ester

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

2-{[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino}-benzoic acid allyl ester
848187-10-0

2-{[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino}-benzoic acid allyl ester

Conditions
ConditionsYield
With sodium hydrogencarbonate In tetrahydrofuran at 20℃;49%
With sodium hydrogencarbonate In tetrahydrofuran; water at 20℃;
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

(1R,3S,5S)-tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
143557-91-9

(1R,3S,5S)-tert-butyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl (1R,3R,5S)-3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyloxy]-8-azabicyclo[3,2.1]octane-8-carboxylate

tert-butyl (1R,3R,5S)-3-[[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyloxy]-8-azabicyclo[3,2.1]octane-8-carboxylate

Conditions
ConditionsYield
With dmap; triethylamine In dichloromethane at 0 - 30℃;41%
2-amino-6-(methylsulfonyl)benzothiazole
17557-67-4

2-amino-6-(methylsulfonyl)benzothiazole

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

3-(2,6-dichlorophenyl)-N-(6-methanesulfonylbenzo[d]thiazol-2-yl)-5-methylisoxazole-4-carboxamide

3-(2,6-dichlorophenyl)-N-(6-methanesulfonylbenzo[d]thiazol-2-yl)-5-methylisoxazole-4-carboxamide

Conditions
ConditionsYield
With triethylamine In dichloromethane; N,N-dimethyl-formamide at 40 - 45℃; for 24h; Inert atmosphere;37%
PVS
5535-48-8

PVS

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

C19H15Cl2NO4S

C19H15Cl2NO4S

Conditions
ConditionsYield
With crithmene; potassium ethyl xanthogenate; sodium phosphate In dichloromethane at 60℃; for 24h; Giese Free Radical Synthesis; Irradiation;35%
9b-amino-4b-hydroxy-7-isopropyl-4b,9b-dihydro-10H-indeno[1,2-b]benzofuran-10-one
1416231-32-7

9b-amino-4b-hydroxy-7-isopropyl-4b,9b-dihydro-10H-indeno[1,2-b]benzofuran-10-one

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

3-(2,6-dichlorophenyl)-N-(4b-hydroxy-7-isopropyl-10-oxo-9b,10-dihydro-4bH-benzo[d]indeno[1,2-b]furan-9b-yl)-5-methylisooxazole-4-carboxamide
1416233-43-6

3-(2,6-dichlorophenyl)-N-(4b-hydroxy-7-isopropyl-10-oxo-9b,10-dihydro-4bH-benzo[d]indeno[1,2-b]furan-9b-yl)-5-methylisooxazole-4-carboxamide

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃;19%
3-methyl-6-nitro-1H-indazole
6494-19-5

3-methyl-6-nitro-1H-indazole

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

1-[3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-3-methyl-6-nitro-1H-indazole
62235-36-3

1-[3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-3-methyl-6-nitro-1H-indazole

Conditions
ConditionsYield
With triethylamine In benzene
aniline
62-53-3

aniline

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid anilide
4402-85-1

3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid anilide

Conditions
ConditionsYield
In acetone
chlorhydrate de (β-aminoethyl)-4 benzenesulfonamide
6325-22-0

chlorhydrate de (β-aminoethyl)-4 benzenesulfonamide

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid 4-sulfamoyl-phenethylamide
24477-34-7

3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid 4-sulfamoyl-phenethylamide

Conditions
ConditionsYield
In pyridine
2,4-dichlorobenzamidoxime
22179-80-2

2,4-dichlorobenzamidoxime

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

C18H11Cl4N3O3

C18H11Cl4N3O3

Conditions
ConditionsYield
With triethylamine In tetrahydrofuran at 25℃; for 24h; Acylation;
(2R,3R)-3-amino-1-(1'-methoxycarbonyl-2'-methylpropenyl)-4-oxoazetidine-2-sulfonic acid tetrabutylammonium salt
180468-20-6

(2R,3R)-3-amino-1-(1'-methoxycarbonyl-2'-methylpropenyl)-4-oxoazetidine-2-sulfonic acid tetrabutylammonium salt

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

(2R,3R)-3-{[3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino}-1-(1'-methoxycarbonyl-2'-methylpropenyl)-4-oxoazetidine-2-sulfonic acid

(2R,3R)-3-{[3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino}-1-(1'-methoxycarbonyl-2'-methylpropenyl)-4-oxoazetidine-2-sulfonic acid

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃; for 2.16667h; Condensation;
(2R,3S)-3-amino-1-(1'-methoxycarbonyl-2'-methylpropenyl)-4-oxoazetidine2-sulfonic acid
180468-23-9

(2R,3S)-3-amino-1-(1'-methoxycarbonyl-2'-methylpropenyl)-4-oxoazetidine2-sulfonic acid

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

(2R,3S)-3-{[3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino}-1-(1'-methoxycarbonyl-2'-methylpropenyl)-4-oxoazetidine-2-sulfonic acid

(2R,3S)-3-{[3-(2,6-dichlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino}-1-(1'-methoxycarbonyl-2'-methylpropenyl)-4-oxoazetidine-2-sulfonic acid

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0 - 20℃; for 2.16667h; Condensation;
dimethyl amine
124-40-3

dimethyl amine

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

3-(2,6-Dichlorophenyl)-N,N,5-trimethylisoxazole-4-carboxamide
349131-41-5

3-(2,6-Dichlorophenyl)-N,N,5-trimethylisoxazole-4-carboxamide

Conditions
ConditionsYield
In tetrahydrofuran at 20℃;
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

2-{[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino }-benzoic acid
848187-11-1

2-{[3-(2,6-Dichloro-phenyl)-5-methyl-isoxazole-4-carbonyl]-amino }-benzoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 49 percent / NaHCO3 / tetrahydrofuran / 20 °C
2: 100 percent / Pd(PPh3)4; morpholine / CH2Cl2 / 20 °C
View Scheme
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid (2-diethylcarbamoyl-phenyl)-amide

3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid (2-diethylcarbamoyl-phenyl)-amide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 49 percent / NaHCO3 / tetrahydrofuran / 20 °C
2: 100 percent / Pd(PPh3)4; morpholine / CH2Cl2 / 20 °C
3: TBTU; DIPEA / dimethylformamide / 20 °C
View Scheme
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid (2-benzylcarbamoyl-phenyl)-amide

3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid (2-benzylcarbamoyl-phenyl)-amide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 49 percent / NaHCO3 / tetrahydrofuran / 20 °C
2: 100 percent / Pd(PPh3)4; morpholine / CH2Cl2 / 20 °C
3: TBTU; DIPEA / dimethylformamide / 20 °C
View Scheme
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid [2-(piperidine-1-carbonyl)-phenyl]-amide

3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid [2-(piperidine-1-carbonyl)-phenyl]-amide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 49 percent / NaHCO3 / tetrahydrofuran / 20 °C
2: 100 percent / Pd(PPh3)4; morpholine / CH2Cl2 / 20 °C
3: TBTU; DIPEA / dimethylformamide / 20 °C
View Scheme
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid [2-(azepane-1-carbonyl)-phenyl]-amide

3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid [2-(azepane-1-carbonyl)-phenyl]-amide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 49 percent / NaHCO3 / tetrahydrofuran / 20 °C
2: 100 percent / Pd(PPh3)4; morpholine / CH2Cl2 / 20 °C
3: TBTU; DIPEA / dimethylformamide / 20 °C
View Scheme
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

N-(2-{[(1,3-benzodioxol-5-ylmethyl)amino]carbonyl}phenyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide

N-(2-{[(1,3-benzodioxol-5-ylmethyl)amino]carbonyl}phenyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 49 percent / NaHCO3 / tetrahydrofuran / 20 °C
2: 100 percent / Pd(PPh3)4; morpholine / CH2Cl2 / 20 °C
3: TBTU; DIPEA / dimethylformamide / 20 °C
View Scheme
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

(4-{2-[3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carbonylamino]-ethyl}-benzenesulfonyl)-carbamic acid methyl ester
52320-56-6

(4-{2-[3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carbonylamino]-ethyl}-benzenesulfonyl)-carbamic acid methyl ester

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: pyridine
2: 1,2-dimethoxy-ethane
View Scheme
3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride
4462-55-9

3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolylcarbonyl chloride

3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid 4-(azepan-1-ylcarbamoyl-sulfamoyl)-phenethylamide
52320-40-8

3-(2,6-dichloro-phenyl)-5-methyl-isoxazole-4-carboxylic acid 4-(azepan-1-ylcarbamoyl-sulfamoyl)-phenethylamide

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: pyridine
2: 1,2-dimethoxy-ethane
3: 1,2-dimethoxy-ethane
View Scheme

3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride Chemical Properties

IUPAC Name: 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride 
Empirical Formula: C11H6Cl3NO2
Molecular Weight: 290.5298g/mol
EINECS: 224-723-8 
Structure of 4-Isoxazolecarbonylchloride, 3-(2,6-dichlorophenyl)-5-methyl- (CAS NO.4462-55-9):

Index of Refraction: 1.584
Molar Refractivity: 66.09 cm3
Molar Volume: 197.3 cm3
Polarizability: 26.2×10-24cm3
Surface Tension: 48.9 dyne/cm
Density: 1.472 g/cm3
Flash Point: 190.2 °C
Enthalpy of Vaporization: 64.04 kJ/mol 
Melting Point: 92 °C
Boiling Point: 390.9 °C at 760 mmHg
Vapour Pressure: 2.57E-06 mmHg at 25°C 
Product Categories: Oxazole&Isoxazole 
Canonical SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)Cl
InChI: InChI=1S/C11H6Cl3NO2/c1-5-8(11(14)16)10(15-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3
InChIKey: IZQGELJKDARDMZ-UHFFFAOYSA-N

3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride Safety Profile

Hazard Codes: CorrosiveC
Risk Statements: 34 
R34:Causes burns.
Safety Statements: 26-36/37/39-45-36/37/39/45 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: 3261
Hazard Note: Corrosive

3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride Specification

  4-Isoxazolecarbonylchloride, 3-(2,6-dichlorophenyl)-5-methyl- , its cas register number is 4462-55-9. It also can be called 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid chloride . 4-Isoxazolecarbonylchloride, 3-(2,6-dichlorophenyl)-5-methyl- (CAS NO.4462-55-9) is a yellow to brown powde which may cause burns.

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