tert-butyl 3-(3-(4-chloro-2-(1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-ylcarbamoyl)phenylcarbamoyl)benzylthio)propanoate

Base Information

• Chemical Name: tert-butyl 3-(3-(4-chloro-2-(1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-ylcarbamoyl)phenylcarbamoyl)benzylthio)propanoate
• CAS No.: 1354722-18-1
• Molecular Formula: C₃₂H₃₀ClF₃N₄O₄S
• Molecular Weight: 659.129
• Mol file: 1354722-18-1.mol

Synonyms:tert-butyl 3-(3-(4-chloro-2-(1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-ylcarbamoyl)phenylcarbamoyl)benzylthio)propanoate

Chemical Property of tert-butyl 3-(3-(4-chloro-2-(1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-ylcarbamoyl)phenylcarbamoyl)benzylthio)propanoate

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of tert-butyl 3-(3-(4-chloro-2-(1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-ylcarbamoyl)phenylcarbamoyl)benzylthio)propanoate

There total 9 articles about tert-butyl 3-(3-(4-chloro-2-(1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-ylcarbamoyl)phenylcarbamoyl)benzylthio)propanoate 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: 30.0%

tert-butyl 3-((3-(chlorocarbonyl)benzyl)thio)propanoate (1354722-00-1) + 2-amino-5-chloro-N-(1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)benzamide (1354722-17-0) → tert-butyl 3-(3-(4-chloro-2-(1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-ylcarbamoyl)phenylcarbamoyl)benzylthio)propanoate (1354722-18-1)

Guidance literature:

With pyridine; In dichloromethane; at 20 ℃; for 1h;

Reference yield:

m-trifluoromethylphenyl iodide (401-81-0) → tert-butyl 3-(3-(4-chloro-2-(1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-ylcarbamoyl)phenylcarbamoyl)benzylthio)propanoate (1354722-18-1)

Guidance literature:

Multi-step reaction with 5 steps

1.1: potassium carbonate; L-proline; copper(l) iodide / dimethyl sulfoxide / 85 °C

2.1: hydrogen / palladium on activated charcoal / methanol / 20 °C

3.1: pyridine / 1 h / 20 °C

4.1: zinc; acetic acid / 1 h / 70 °C

4.2: pH 8

5.1: pyridine / dichloromethane / 1 h / 20 °C

With pyridine; copper(l) iodide; hydrogen; potassium carbonate; acetic acid; L-proline; zinc; palladium on activated charcoal; In methanol; dichloromethane; dimethyl sulfoxide;

Reference yield:

3-bromomethylbenzoic acid (6515-58-8) → tert-butyl 3-(3-(4-chloro-2-(1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-ylcarbamoyl)phenylcarbamoyl)benzylthio)propanoate (1354722-18-1)

Guidance literature:

Multi-step reaction with 5 steps

1.1: ethanol / 20 °C

1.2: pH 3 - 4

2.1: potassium carbonate / water; methanol / 4 h / 60 °C

2.2: pH 3

3.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile / 80 °C

3.2: pH 2 - 3

4.1: oxalyl dichloride / N,N-dimethyl-formamide / dichloromethane / 1.5 h / 0 - 20 °C

5.1: pyridine / dichloromethane / 1 h / 20 °C

With pyridine; oxalyl dichloride; potassium carbonate; 1,8-diazabicyclo[5.4.0]undec-7-ene; N,N-dimethyl-formamide; In methanol; ethanol; dichloromethane; water; acetonitrile;

upstream raw materials:

3-bromomethylbenzoic acid

m-trifluoromethylphenyl iodide

3-(mercaptomethyl)-benzoic acid

1-(3-(trifluoromethyl)phenyl)-3-amino-1H-pyrazole

Downstream raw materials:

3-((3-((4-chloro-2-((1-(3-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)carbamoyl)phenyl)carbamoyl)benzyl)thio)propanoic acid