tert-butyl 3-(3-(4-chloro-2-(1-(3,4-dimethylphenyl)-1H-pyrazol-3-yl-carbamoyl)phenylcarbamoyl)benzylthio)propanoate

Base Information

• Chemical Name: tert-butyl 3-(3-(4-chloro-2-(1-(3,4-dimethylphenyl)-1H-pyrazol-3-yl-carbamoyl)phenylcarbamoyl)benzylthio)propanoate
• CAS No.: 1354722-05-6
• Molecular Formula: C₃₃H₃₅ClN₄O₄S
• Molecular Weight: 619.184
• Mol file: 1354722-05-6.mol

Synonyms:tert-butyl 3-(3-(4-chloro-2-(1-(3,4-dimethylphenyl)-1H-pyrazol-3-yl-carbamoyl)phenylcarbamoyl)benzylthio)propanoate

Chemical Property of tert-butyl 3-(3-(4-chloro-2-(1-(3,4-dimethylphenyl)-1H-pyrazol-3-yl-carbamoyl)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-(3,4-dimethylphenyl)-1H-pyrazol-3-yl-carbamoyl)phenylcarbamoyl)benzylthio)propanoate

There total 9 articles about tert-butyl 3-(3-(4-chloro-2-(1-(3,4-dimethylphenyl)-1H-pyrazol-3-yl-carbamoyl)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: 33.0%

tert-butyl 3-((3-(chlorocarbonyl)benzyl)thio)propanoate (1354722-00-1) + 2-amino-5-chloro-N-(1-(3,4-dimethylphenyl)-1H-pyrazol-3-yl)-benzamide (1354722-03-4) → tert-butyl 3-(3-(4-chloro-2-(1-(3,4-dimethylphenyl)-1H-pyrazol-3-yl-carbamoyl)phenylcarbamoyl)benzylthio)propanoate (1354722-05-6)

Guidance literature:

tert-butyl 3-((3-(chlorocarbonyl)benzyl)thio)propanoate; With pyridine; In dichloromethane;

2-amino-5-chloro-N-(1-(3,4-dimethylphenyl)-1H-pyrazol-3-yl)-benzamide; In dichloromethane; at 20 ℃; for 1h;

Reference yield:

3-bromomethylbenzoic acid (6515-58-8) → tert-butyl 3-(3-(4-chloro-2-(1-(3,4-dimethylphenyl)-1H-pyrazol-3-yl-carbamoyl)phenylcarbamoyl)benzylthio)propanoate (1354722-05-6)

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

5.2: 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;

Reference yield:

3-(mercaptomethyl)-benzoic acid (28162-88-1) → tert-butyl 3-(3-(4-chloro-2-(1-(3,4-dimethylphenyl)-1H-pyrazol-3-yl-carbamoyl)phenylcarbamoyl)benzylthio)propanoate (1354722-05-6)

Guidance literature:

Multi-step reaction with 3 steps

1.1: 1,8-diazabicyclo[5.4.0]undec-7-ene / acetonitrile / 80 °C

1.2: pH 2 - 3

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

3.1: pyridine / dichloromethane

3.2: 1 h / 20 °C

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

upstream raw materials:

3-bromomethylbenzoic acid

3-(mercaptomethyl)-benzoic acid

4-bromo-o-xylene

3-((3-tert-butoxy-3-oxopropylthio)methyl)benzoic acid

Downstream raw materials:

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