4-(2-CYANOPROPAN-2-YLAMINO)-2-FLUORO-N-METHYLBENZAMIDE

Base Information

• Chemical Name: 4-(2-CYANOPROPAN-2-YLAMINO)-2-FLUORO-N-METHYLBENZAMIDE
• CAS No.: 915087-32-0
• Molecular Formula: C12H14FN3O
• Molecular Weight: 235.261
• Hs Code.: 2926909090
• Mol file: 915087-32-0.mol

Synonyms:4-(2-CYANOPROPAN-2-YLAMINO)-2-FLUORO-N-METHYLBENZAMIDE;BenzaMide, 4-[(1-cyano-1-Methylethyl)aMino]-2-fluoro-N-Methyl-;4. 4-((2-cyanopropan-2-yl)aMino)-2-fluoro-N-MethylbenzaMide;4-[(1-Cyano-1-Methylethyl)aMino]-2-fluoro-N-MethylbenzaMide

Chemical Property of 4-(2-CYANOPROPAN-2-YLAMINO)-2-FLUORO-N-METHYLBENZAMIDE

Chemical Property:

• Boiling Point: 413.6±45.0 °C(Predicted)
• PKA: 14.29±0.46(Predicted)
• PSA: 68.41000
• Density: 1 +-.0.06 g/cm3(Predicted)
• LogP: 2.54718

Purity/Quality:

4-?(2-?Cyanopropan-?2-?ylamino)?-?2-?fluoro-?N-?methylbenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-?(2-?Cyanopropan-?2-?ylamino)?-?2-?fluoro-?N-?methylbenzamide is used in the preparation and structural activity relationship of thiohydantoin androgen receptor antagonists for castration-resistant prostate cancer. Also, in the preparation of imidazolidinedione compounds as androgen receptor antagonists useful for the treatment of diseases.

Technology Process of 4-(2-CYANOPROPAN-2-YLAMINO)-2-FLUORO-N-METHYLBENZAMIDE

There total 7 articles about 4-(2-CYANOPROPAN-2-YLAMINO)-2-FLUORO-N-METHYLBENZAMIDE which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.5%

2-fluoro-N-methyl-4-amino-benzamide (915087-25-1) + trimethylsilyl cyanide (7677-24-9) + acetone (67-64-1) → N-methyl-2-fluoro-4-(1,1-dimethyl-cyanomethyl)-aminobenzamide (915087-32-0)

Guidance literature:

With acetic acid; at 80 ℃; for 16h; Sealed tube;

Reference yield: 91.5%

2-fluoro-N-methyl-4-amino-benzamide (915087-25-1) + trimethylsilyl cyanide (7677-24-9) → N-methyl-2-fluoro-4-(1,1-dimethyl-cyanomethyl)-aminobenzamide (915087-32-0)

Guidance literature:

With acetic acid; In [⁽²⁾H₆]acetone; water;

Reference yield: 90.0%

4-bromo-2-fluoro-N-methylbenzanamide (749927-69-3) + 2-amino-2-cyanopropane (19355-69-2) → N-methyl-2-fluoro-4-(1,1-dimethyl-cyanomethyl)-aminobenzamide (915087-32-0)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 80 ℃; for 4h; Reagent/catalyst; Temperature; Solvent;

upstream raw materials:

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

2-hydroxy-2-methylpropanenitrile

trimethylsilyl cyanide

acetone

Downstream raw materials:

4-[3-(4-cyano-2-fluoro-3-methoxy-phenyl)-5,5-dimethyl-4-oxo-2-thioxo-imidazolidin-1-yl]-2-fluoro-N-methyl-benzamide

4-[3-(3-chloro-4-cyano-2-fluoro-phenyl)-5,5-dimethyl-4-oxo-2-thioxo-imidazolidin-1-yl]-2-fluoro-N-methyl-benzamide

4-[3-(4-cyano-2-fluoro-3-trifluoromethyl-phenyl)-5,5-dimethyl-4-oxo-2-thioxo-imidazolidin-1-yl]-2-fluoro-N-methyl-benzamide

enzalutamide

Refernces

• 1、 -. "Preparation method of enzalutamide intermediate". Paragraph 0025; 0026; 0040; 0041; 0042. . Retrieved 2018/08/28.
• 2、 -. "IMIDAZOLE DIKETONE COMPOUND AND USE THEREOF". Paragraph 0120; 0121; 0122. . Retrieved 2016/06/28.