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1289942-66-0

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  • N-[3-Fluoro-4-[(methylamino)carbonyl]phenyl]-2-methylalanine/Intermediates of Enzalutamide/ in stock CAS NO.1289942-66-0

    Cas No: 1289942-66-0

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1289942-66-0 Usage

Appearance

N-[3-Fluoro-4-[(methylamino)carbonyl]phenyl]-2-methylalanine is a white to off-white solid.

Uses

N-[3-Fluoro-4-[(methylamino)carbonyl]phenyl]-2-methylalanine?is an amino acid derivative and can be used as an intermediate in pharmaceutical synthesis.

Check Digit Verification of cas no

The CAS Registry Mumber 1289942-66-0 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,8,9,9,4 and 2 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 1289942-66:
(9*1)+(8*2)+(7*8)+(6*9)+(5*9)+(4*4)+(3*2)+(2*6)+(1*6)=220
220 % 10 = 0
So 1289942-66-0 is a valid CAS Registry Number.

1289942-66-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methyl-propanoic acid

1.2 Other means of identification

Product number -
Other names 2-(3-Fluoro-3'-methoxy-biphenyl-4-ylcarbamoyl)-cyclopent-1-ene-carboxylic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1289942-66-0 SDS

1289942-66-0Synthetic route

2-fluoro-4-bromobenzamide
292621-45-5

2-fluoro-4-bromobenzamide

propylene 2-amino-2-isobutyrate hydrochloride

propylene 2-amino-2-isobutyrate hydrochloride

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

Conditions
ConditionsYield
With 2-acetylcyclohexanone; water; potassium carbonate; copper(l) chloride In N,N-dimethyl-formamide at 30 - 105℃; for 12h;89.1%
4-bromo-2-fluoro-N-methylbenzanamide
749927-69-3

4-bromo-2-fluoro-N-methylbenzanamide

2-Aminoisobutyric acid
62-57-7

2-Aminoisobutyric acid

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

Conditions
ConditionsYield
With 2-acetylcyclohexanone; potassium carbonate; copper(l) chloride In N,N-dimethyl-formamide at 110℃; for 16h;88.7%
With water; potassium carbonate; L-proline; copper(l) chloride In N,N-dimethyl-formamide at 100℃; for 24h; Reagent/catalyst; Solvent; Inert atmosphere;87%
Stage #1: 4-bromo-2-fluoro-N-methylbenzanamide; 2-Aminoisobutyric acid With potassium carbonate; copper(l) chloride In water; N,N-dimethyl-formamide at 30℃;
Stage #2: With 2-acetylcyclohexanone In water; N,N-dimethyl-formamide at 105℃; Inert atmosphere;
Stage #3: With citric acid In Isopropyl acetate; water pH=4;
75.4%
4-bromo-2-fluoro-N-methylbenzanamide
749927-69-3

4-bromo-2-fluoro-N-methylbenzanamide

methyl 2-aminoisobutyrate hydrochloride
15028-41-8

methyl 2-aminoisobutyrate hydrochloride

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

Conditions
ConditionsYield
With 2-acetylcyclohexanone; water; potassium carbonate; copper(l) chloride In N,N-dimethyl-formamide at 30 - 105℃; for 12h;87.3%
2-fluoro-4-bromobenzamide
292621-45-5

2-fluoro-4-bromobenzamide

benzyl 2-amino-2-methylpropionate hydrochloride
60421-20-7

benzyl 2-amino-2-methylpropionate hydrochloride

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

Conditions
ConditionsYield
With copper(l) iodide; 2-acetylcyclohexanone; water; potassium carbonate In dimethyl sulfoxide at 40 - 110℃; for 10h;83.6%
2-fluoro-N-methyl-4-amino-benzamide
915087-25-1

2-fluoro-N-methyl-4-amino-benzamide

2-bromo-2-methylpropionic acid
2052-01-9

2-bromo-2-methylpropionic acid

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

Conditions
ConditionsYield
With triethylamine In dichloromethane at 20℃; for 72h;76%
With triethylamine In dichloromethane at 20 - 30℃; for 15h; Inert atmosphere;12 g
With triethylamine In dichloromethane at 20 - 30℃; for 15h; Inert atmosphere;
2-bromo-2-methylpropionic acid
2052-01-9

2-bromo-2-methylpropionic acid

4-amino-2-fluoro-N-methylbenzamide hydrochloride

4-amino-2-fluoro-N-methylbenzamide hydrochloride

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

Conditions
ConditionsYield
Stage #1: 4-amino-2-fluoro-N-methylbenzamide hydrochloride With triethylamine In N,N-dimethyl acetamide at 70℃; for 1h;
Stage #2: 2-bromo-2-methylpropionic acid In N,N-dimethyl acetamide at 100℃; for 1.66667h;
53%
2-fluoro-4-bromobenzoic acid
112704-79-7

2-fluoro-4-bromobenzoic acid

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: thionyl chloride / N,N-dimethyl-formamide; Isopropyl acetate / 4.58 h / 21 - 72 °C / Inert atmosphere; Industry scale
2.1: water; Isopropyl acetate / 1.08 h / 2 - 35 °C / Inert atmosphere; Industry scale
3.1: potassium carbonate / copper(l) chloride / N,N-dimethyl-formamide; water / 30 °C
3.2: 105 °C / Inert atmosphere
3.3: pH 4
View Scheme
Multi-step reaction with 3 steps
1.1: N,N-dimethyl-formamide; oxalyl dichloride / dichloromethane / 10 - 30 °C
2.1: water; tert-butyl methyl ether / 10 - 30 °C / pH 8 - 9
3.1: potassium carbonate / N,N-dimethyl-formamide; 1,4-dioxane; water / 0.33 h / Inert atmosphere
3.2: 24.33 h / Inert atmosphere; Reflux
View Scheme
Multi-step reaction with 3 steps
1: N,N-dimethyl-formamide; thionyl chloride / ethyl acetate / 4 h / 20 °C / Inert atmosphere; Reflux
2: ethyl acetate / 0.25 h / 30 - 35 °C
3: potassium carbonate; copper(l) iodide / dimethyl sulfoxide / 16 h / 120 °C / Inert atmosphere
View Scheme
4-bromo-2-fluorobenzoyl chloride
151982-51-3

4-bromo-2-fluorobenzoyl chloride

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: water; Isopropyl acetate / 1.08 h / 2 - 35 °C / Inert atmosphere; Industry scale
2.1: potassium carbonate / copper(l) chloride / N,N-dimethyl-formamide; water / 30 °C
2.2: 105 °C / Inert atmosphere
2.3: pH 4
View Scheme
Multi-step reaction with 2 steps
1: ethyl acetate / 0.25 h / 30 - 35 °C
2: potassium carbonate; copper(l) iodide / dimethyl sulfoxide / 16 h / 120 °C / Inert atmosphere
View Scheme
Multi-step reaction with 2 steps
1.1: toluene; N,N-dimethyl-formamide / 1 h / 10 - 15 °C
2.1: copper(l) chloride; N,N-dimethyl-aniline / N,N-dimethyl-formamide / 75 - 80 °C / Inert atmosphere
2.2: 75 - 80 °C / Inert atmosphere
2.3: 0.25 h / Inert atmosphere
View Scheme
2-fluoro-4-nitrobenzoic acid
403-24-7

2-fluoro-4-nitrobenzoic acid

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: N,N-dimethyl-formamide; thionyl chloride / Isopropyl acetate / 60 °C / Inert atmosphere
2.1: Isopropyl acetate / 5 h / Inert atmosphere
3.1: hydrogen; palladium 10% on activated carbon / methanol / 1 h / 50 °C / 4500.45 Torr / Autoclave
3.2: Heating
4.1: triethylamine / N,N-dimethyl acetamide / 1 h / 70 °C
4.2: 1.67 h / 100 °C
View Scheme
2-fluoro-4-nitrobenzoyl chloride
403-23-6

2-fluoro-4-nitrobenzoyl chloride

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: Isopropyl acetate / 5 h / Inert atmosphere
2.1: hydrogen; palladium 10% on activated carbon / methanol / 1 h / 50 °C / 4500.45 Torr / Autoclave
2.2: Heating
3.1: triethylamine / N,N-dimethyl acetamide / 1 h / 70 °C
3.2: 1.67 h / 100 °C
View Scheme
2-fluoro-N-methyl-4-nitro-benzamide
915087-24-0

2-fluoro-N-methyl-4-nitro-benzamide

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: hydrogen; palladium 10% on activated carbon / methanol / 1 h / 50 °C / 4500.45 Torr / Autoclave
1.2: Heating
2.1: triethylamine / N,N-dimethyl acetamide / 1 h / 70 °C
2.2: 1.67 h / 100 °C
View Scheme
2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

p-methoxybenzyl chloride
824-94-2

p-methoxybenzyl chloride

C20H23FN2O4

C20H23FN2O4

Conditions
ConditionsYield
With potassium carbonate In water; N,N-dimethyl-formamide at 50℃; for 4h; Temperature;97%
2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

benzyl alcohol
100-51-6

benzyl alcohol

2-(3-fluoro-4-(methylcarbamoyl)phenylamino)-2-methylpropionate benzyl

2-(3-fluoro-4-(methylcarbamoyl)phenylamino)-2-methylpropionate benzyl

Conditions
ConditionsYield
With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine In ethyl acetate at 0℃; for 4h; Temperature; Solvent; Inert atmosphere;96%
2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

methyl iodide
74-88-4

methyl iodide

2-(3-fluoro-4-(methylcarbamoyl)phenylamino)-2-methylpropanoic acid methyl ester
1332524-01-2

2-(3-fluoro-4-(methylcarbamoyl)phenylamino)-2-methylpropanoic acid methyl ester

Conditions
ConditionsYield
Stage #1: 2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid With potassium carbonate In water; N,N-dimethyl-formamide at 30℃;
Stage #2: methyl iodide In water; N,N-dimethyl-formamide at 32 - 40℃; for 1.08333h;
95%
With potassium carbonate In water; N,N-dimethyl-formamide at 40℃; for 1h; Inert atmosphere;78%
Stage #1: 2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid; methyl iodide With potassium carbonate In water; N,N-dimethyl-formamide at 30 - 40℃; for 1h;
Stage #2: With acetic acid In water; N,N-dimethyl-formamide at 60℃; for 1h;
5.1 g
In dimethyl sulfoxide at 30 - 40℃; for 0.666667h; Inert atmosphere;
ethanol
64-17-5

ethanol

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

ethyl N-[3-fluoro-4-(methylcarbamoyl)phenyl]-2-methylalaninate

ethyl N-[3-fluoro-4-(methylcarbamoyl)phenyl]-2-methylalaninate

Conditions
ConditionsYield
With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine In ethyl acetate at 0 - 30℃; Inert atmosphere;95%
2-Bromoethyl ethyl ether
592-55-2

2-Bromoethyl ethyl ether

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

C16H23FN2O4

C16H23FN2O4

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 2h;93%
2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

2-Bromoethyl methyl ether
6482-24-2

2-Bromoethyl methyl ether

2-methoxyethyl 2-{[3-fluoro-4-(methylcarbamoyl)phenyl]amino}-2-methylpropanoate

2-methoxyethyl 2-{[3-fluoro-4-(methylcarbamoyl)phenyl]amino}-2-methylpropanoate

Conditions
ConditionsYield
With 1,8-diazabicyclo[5.4.0]undec-7-ene In N,N-dimethyl-formamide at 30℃; Inert atmosphere;92.6%
2-methoxy-ethanol
109-86-4

2-methoxy-ethanol

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

2-methoxyethyl 2-{[3-fluoro-4-(methylcarbamoyl)phenyl]amino}-2-methylpropanoate

2-methoxyethyl 2-{[3-fluoro-4-(methylcarbamoyl)phenyl]amino}-2-methylpropanoate

Conditions
ConditionsYield
With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; Inert atmosphere;91.3%
methanol
67-56-1

methanol

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

2-(3-fluoro-4-(methylcarbamoyl)phenylamino)-2-methylpropanoic acid methyl ester
1332524-01-2

2-(3-fluoro-4-(methylcarbamoyl)phenylamino)-2-methylpropanoic acid methyl ester

Conditions
ConditionsYield
With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; triethylamine In N,N-dimethyl-formamide at 0 - 30℃; for 8h; Inert atmosphere;90%
2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

4-isothiocyanato 2-(trifluoromethyl)benzonitrile
143782-23-4

4-isothiocyanato 2-(trifluoromethyl)benzonitrile

enzalutamide
915087-33-1

enzalutamide

Conditions
ConditionsYield
Stage #1: 2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid With triethylamine In dichloromethane; toluene at 30℃; for 0.166667h;
Stage #2: 4-isothiocyanato 2-(trifluoromethyl)benzonitrile In toluene at 50 - 60℃; for 4h; Temperature; Solvent;
88.5%
With N-ethyl-N,N-diisopropylamine; phenol at 60℃; for 4h; Reagent/catalyst;77%
Stage #1: 4-isothiocyanato 2-(trifluoromethyl)benzonitrile With triethylamine In chloroform at 20℃; for 0.25h; Reflux; Inert atmosphere;
Stage #2: 2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid In chloroform for 6h; Reagent/catalyst; Reflux;
76.92%
2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

1,2-Epoxy-3-bromopropane
3132-64-7

1,2-Epoxy-3-bromopropane

2-(3-fluoro-4-(methylcarbamoyl)phenylamino)-2-methylpropionate ethyloxirane

2-(3-fluoro-4-(methylcarbamoyl)phenylamino)-2-methylpropionate ethyloxirane

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 8h;88.5%
2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

benzyl bromide
100-39-0

benzyl bromide

2-(3-fluoro-4-(methylcarbamoyl)phenylamino)-2-methylpropionate benzyl

2-(3-fluoro-4-(methylcarbamoyl)phenylamino)-2-methylpropionate benzyl

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 10h;85%
2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

allyl bromide
106-95-6

allyl bromide

2-(3-fluoro-4-(methylcarbamoyl)phenylamino)-2-methylpropionate allyl

2-(3-fluoro-4-(methylcarbamoyl)phenylamino)-2-methylpropionate allyl

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 30℃; for 3h; Concentration; Temperature; Inert atmosphere;84.5%
2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

propargyl bromide
106-96-7

propargyl bromide

2-(3-fluoro-4-(methylcarbamoyl)phenylamino)-2-methylpropionate proparagyl

2-(3-fluoro-4-(methylcarbamoyl)phenylamino)-2-methylpropionate proparagyl

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 10h;81%
2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

ethylamine
75-04-7

ethylamine

C14H20FN3O2

C14H20FN3O2

Conditions
ConditionsYield
Stage #1: 2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20 - 30℃; for 0.0833333h; Inert atmosphere;
Stage #2: ethylamine In tetrahydrofuran; N,N-dimethyl-formamide at 20 - 30℃; for 15h;
60.6%
2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

1-isothiocyanato-3-(pentafluorosulfanyl)benzene
1533425-64-7

1-isothiocyanato-3-(pentafluorosulfanyl)benzene

4-(5,5-dimethyl-4-oxo-2-thioxo-3-(3-(pentafluorosulfanyl)phenyl)imidazolidin-1-yl)-2-fluoro-N-methylbenzamide

4-(5,5-dimethyl-4-oxo-2-thioxo-3-(3-(pentafluorosulfanyl)phenyl)imidazolidin-1-yl)-2-fluoro-N-methylbenzamide

Conditions
ConditionsYield
With N,N-dimethyl-formamide In Isopropyl acetate at 84℃; Inert atmosphere;38%
Stage #1: 1-isothiocyanato-3-(pentafluorosulfanyl)benzene With triethylamine In chloroform at 65℃; for 1h; Inert atmosphere;
Stage #2: 2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid In chloroform at 65℃; for 16h; Inert atmosphere;
73 mg
2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

4-amino-2-trifluoromethylbenzonitrile
654-70-6

4-amino-2-trifluoromethylbenzonitrile

4-[1-(4-cyano-3-trifluoromethyl-phenylcarbamoyl)-1-methyl-ethylamino]-2-fluoro-N-methyl-benzamide
1289942-55-7

4-[1-(4-cyano-3-trifluoromethyl-phenylcarbamoyl)-1-methyl-ethylamino]-2-fluoro-N-methyl-benzamide

Conditions
ConditionsYield
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃;36%
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane36%
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 5h;650 mg
With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 20℃; for 8h;0.32 g
2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

enzalutamide
915087-33-1

enzalutamide

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: potassium carbonate / N,N-dimethyl-formamide; water / 30 °C
1.2: 1.08 h / 32 - 40 °C
2.1: dimethyl sulfoxide; Isopropyl acetate / 17.5 h / 83 - 84 °C
View Scheme
Multi-step reaction with 2 steps
1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 20 °C
2: 6 h / 100 °C / a sealed-tube
View Scheme
Multi-step reaction with 2 steps
1: potassium carbonate / N,N-dimethyl-formamide / 10 h / 50 °C
2: dimethyl sulfoxide / 4 h / 84 °C
View Scheme
2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

4-(3-(4-cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-imidazolidinethione-1-yl)-2-fluorobenzoic acid
1242137-15-0

4-(3-(4-cyano-3-(trifluoromethyl)phenyl)-5,5-dimethyl-4-oxo-2-imidazolidinethione-1-yl)-2-fluorobenzoic acid

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: potassium carbonate / N,N-dimethyl-formamide; water / 30 °C
1.2: 1.08 h / 32 - 40 °C
2.1: dimethyl sulfoxide; Isopropyl acetate / 17.5 h / 83 - 84 °C
3.1: hydrogenchloride / water / 48 h / 120 °C
View Scheme
Multi-step reaction with 3 steps
1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 20 °C
2: 6 h / 100 °C / a sealed-tube
3: hydrogenchloride / water / 48 h / 120 °C
View Scheme
2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid
1289942-66-0

2-((3-fluoro-4-(methylcarbamoyl)phenyl)amino)-2-methyl propanoic acid

Reaxys ID: 29942157

Reaxys ID: 29942157

Reaxys ID: 29942156

Reaxys ID: 29942156

1289942-66-0Relevant articles and documents

Method for synthesizing enzalutamide (by machine translation)

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Paragraph 0101; 0137-0138, (2020/12/29)

The invention provides a method for synthesizing enzalutamide. , The preparation method comprises the following steps: (1) in first solvent, reacting the compound 8 with the hydrochloride of the compound of formula I in the presence of an inorganic base, a catalyst and a ligand to obtain the compound 9. The first solvent is composed of an organic solvent 1 and water. And (2) In 2nd-solvent, the compound 9 and the compound 7 are reacted in the presence of an organic base, thereby obtaining enzalutamide. The preparation method has the advantages of short synthetic route, high yield, mild reaction conditions, simple operation and post-treatment, high product purity and suitability for industrial production. (by machine translation)

Method for synthesizing enzalutamide intermediate

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Paragraph 0024-0025; 0028, (2019/04/04)

The invention discloses a method for synthesizing an enzalutamide intermediate. The method is characterized by comprising the following steps: adding 4-bromo-2-fluorobenzoic acid and sulfoxide chloride into an organic solvent, evacuating and introducing nitrogen, and carrying out a reaction at a temperature of 80-100 DEG C; evaporating the solvent to dryness so as to obtain 4-bromo-2-fluorobenzoylchloride after the reaction ends, adding the organic solvent into the 4-bromo-2-fluorobenzoyl chloride, slowly adding an aqueous solution of methylamine to regulate the pH value of the reaction solution to be 8-9, and continuing to carry out the reaction; extracting with the organic solvent after the reaction ends, collecting the organic phase, and evaporating the solvent to dryness, thereby obtaining the 4-bromo-2-fluoro-N-methylbenzamide. According to the method disclosed by the invention, the 4-bromo-2-fluorobenzoic acid and 2-aminoisobutyric acid are taken as the raw materials, the product is prepared by a substitution reaction under the actions of cuprous halide catalysis, ligand assistance and in the presence of an acid-binding agent, and the yield is 75%. However, by virtue of theoptimized conditions, cheap acetylacetone is screened as a ligand, and the cost is greatly reduced.

PROCESS FOR PREPARATION OF ENZALUTAMIDE USING NOVEL INTERMEDIATE

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Page/Page column 34; 35, (2019/06/17)

Process for preparation of Enzalutamide using novel intermediate Provided herein is a process for the preparation of a novel [4-cyano-3- (trifluoromethyl)phenyl]carbamodithioic acid and its use in preparation of Enzalutamide being cost effective with higher yield, higher HPLC purity with reduced impurities.

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