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

Base Information

• Chemical Name: N-[4-(methylcarbamoyl)-3-fluorophenyl]-N-{[3-(trifluoromethyl)-4-cyanophenyl]thiocarbamoyl}-β-alanine
• CAS No.: 1351185-77-7
• Molecular Formula: C₂₀H₁₆F₄N₄O₃S
• Molecular Weight: 468.432
• Mol file: 1351185-77-7.mol

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

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

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

There total 3 articles about N-[4-(methylcarbamoyl)-3-fluorophenyl]-N-{[3-(trifluoromethyl)-4-cyanophenyl]thiocarbamoyl}-β-alanine 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: 59.0%

ethyl N-[4-(methylcarbamoyl)-3-fluorophenyl]-N-{[3-(trifluoromethyl)-4-cyanophenyl]thiocarbamoyl}-β-alaninate (1351185-76-6) → N-[4-(methylcarbamoyl)-3-fluorophenyl]-N-{[3-(trifluoromethyl)-4-cyanophenyl]thiocarbamoyl}-β-alanine (1351185-77-7)

Guidance literature:

With water; sodium hydroxide; In ethanol; at 80 ℃; for 2h;

DOI:10.1016/j.ejmech.2015.05.039

Reference yield:

2-fluoro-N-methyl-4-amino-benzamide (915087-25-1) → N-[4-(methylcarbamoyl)-3-fluorophenyl]-N-{[3-(trifluoromethyl)-4-cyanophenyl]thiocarbamoyl}-β-alanine (1351185-77-7)

Guidance literature:

Multi-step reaction with 3 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

3: sodium hydroxide; water / 2 h / 80 °C

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

Reference yield:

ethyl N-[4-(methylcarbamoyl)-3-fluorophenyl]-β-alaninate (1351185-74-4) → N-[4-(methylcarbamoyl)-3-fluorophenyl]-N-{[3-(trifluoromethyl)-4-cyanophenyl]thiocarbamoyl}-β-alanine (1351185-77-7)

Guidance literature:

Multi-step reaction with 2 steps

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

2: sodium hydroxide; water / 2 h / 80 °C

With water; sodium hydroxide; In N,N-dimethyl-formamide;

upstream raw materials:

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

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

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

Downstream raw materials:

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