ethyl N-[4-(methylcarbamoyl)-3-fluorophenyl]-N-{[3-(trifluoromethyl)-4-cyanophenyl]thiocarbamoyl}-β-alaninate

Base Information

• Chemical Name: ethyl N-[4-(methylcarbamoyl)-3-fluorophenyl]-N-{[3-(trifluoromethyl)-4-cyanophenyl]thiocarbamoyl}-β-alaninate
• CAS No.: 1351185-76-6
• Molecular Formula: C₂₂H₂₀F₄N₄O₃S
• Molecular Weight: 496.485
• Mol file: 1351185-76-6.mol

Synonyms:ethyl N-[4-(methylcarbamoyl)-3-fluorophenyl]-N-{[3-(trifluoromethyl)-4-cyanophenyl]thiocarbamoyl}-β-alaninate

Chemical Property of ethyl N-[4-(methylcarbamoyl)-3-fluorophenyl]-N-{[3-(trifluoromethyl)-4-cyanophenyl]thiocarbamoyl}-β-alaninate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of ethyl N-[4-(methylcarbamoyl)-3-fluorophenyl]-N-{[3-(trifluoromethyl)-4-cyanophenyl]thiocarbamoyl}-β-alaninate

There total 4 articles about ethyl N-[4-(methylcarbamoyl)-3-fluorophenyl]-N-{[3-(trifluoromethyl)-4-cyanophenyl]thiocarbamoyl}-β-alaninate 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: 27.0%

ethyl N-[4-(methylcarbamoyl)-3-fluorophenyl]-β-alaninate (1351185-74-4) + 4-isothiocyanato 2-(trifluoromethyl)benzonitrile (143782-23-4) → ethyl N-[4-(methylcarbamoyl)-3-fluorophenyl]-N-{[3-(trifluoromethyl)-4-cyanophenyl]thiocarbamoyl}-β-alaninate (1351185-76-6)

Guidance literature:

In N,N-dimethyl-formamide; at 60 ℃; for 8h; Microwave irradiation;

DOI:10.1016/j.ejmech.2015.05.039

Reference yield:

2-fluoro-N-methyl-4-amino-benzamide (915087-25-1) → ethyl N-[4-(methylcarbamoyl)-3-fluorophenyl]-N-{[3-(trifluoromethyl)-4-cyanophenyl]thiocarbamoyl}-β-alaninate (1351185-76-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dimethyl sulfoxide / 24 h / 70 °C

2: N,N-dimethyl-formamide / 8 h / 60 °C / Microwave irradiation

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dimethyl sulfoxide; N,N-dimethyl-formamide;

Reference yield:

2-fluoro-N-methyl-4-amino-benzamide (915087-25-1) + ethyl acrylate (140-88-5,9003-32-1) → ethyl N-[4-(methylcarbamoyl)-3-fluorophenyl]-N-{[3-(trifluoromethyl)-4-cyanophenyl]thiocarbamoyl}-β-alaninate (1351185-76-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1,8-diazabicyclo[5.4.0]undec-7-ene / dimethyl sulfoxide / 24 h / 70 °C

2: N,N-dimethyl-formamide / 8 h / 60 °C / Microwave irradiation

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In dimethyl sulfoxide; N,N-dimethyl-formamide;

DOI:10.1016/j.ejmech.2015.05.039

upstream raw materials:

ethyl acrylate

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

ethyl N-[4-(methylcarbamoyl)-3-fluorophenyl]-β-alaninate

4-isothiocyanato 2-(trifluoromethyl)benzonitrile

Downstream raw materials:

N-[4-(methylcarbamoyl)-3-fluorophenyl]-N-{[3-(trifluoromethyl)-4-cyanophenyl]thiocarbamoyl}-β-alanine

4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-4-oxo-2-thioxotetrahydropyrimidin-1(2H)-yl}-2-fluoro-N-methylbenzamide