N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamidehydrochloride

Base Information

• Chemical Name: N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamidehydrochloride
• CAS No.: 226226-39-7
• Molecular Formula: C21H21ClF3N3O2
• Molecular Weight: 476.31900
• Mol file: 226226-39-7.mol

Synonyms:

Chemical Property of N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamidehydrochloride

Chemical Property:

• Boiling Point: 597.9±50.0 °C(Predicted)
• PKA: 12.94±0.46(Predicted)
• PSA: 68.42000
• Density: 1.37±0.1 g/cm3(Predicted)
• LogP: 5.63430
• Storage Temp.: Desiccate at +4°C
• Solubility.: DMSO: ≥20mg/mL

Purity/Quality:

97% ^*data from raw suppliers

Teijin compound 1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Teijin Compound 1 is a chemokine receptor, CCR2, inhibitor, which reduces sarcoma cell transendothelial migration and metastasis to the lungs.

Technology Process of N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamidehydrochloride

There total 2 articles about N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamidehydrochloride 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:

m-trifluoromethylhippuric acid (17794-48-8) + (R)-3-amino-1-(4-chlorobenzyl) pyrrolidine (226249-01-0) → N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide (226226-39-7)

Guidance literature:

With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine;

DOI:10.1016/j.bmcl.2004.08.009

Reference yield:

m-trifluoromethylhippuric acid (17794-48-8) + (3S)-1-(4-Chlorobenzyl)-3-pyrrolidinamine → (S)-1-(4-chlorobenzyl)-3-[N-{3-(trifluoromethyl)benzoyl}glycyl]aminopyrrolidine (226226-39-7)

Guidance literature:

With benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine;

DOI:10.1016/j.bmcl.2004.08.009

upstream raw materials:

m-trifluoromethylhippuric acid

(R)-3-amino-1-(4-chlorobenzyl) pyrrolidine