3-[4-(TRIFLUOROMETHYL)ANILINO]PENTANAMIDE

Base Information

• Chemical Name: 3-[4-(TRIFLUOROMETHYL)ANILINO]PENTANAMIDE
• CAS No.: 667937-05-5
• Molecular Formula: C12H15F3N2O
• Molecular Weight: 260.259
• Mol file: 667937-05-5.mol

Synonyms:3-[4-(TRIFLUOROMETHYL)ANILINO]PENTANAMIDE

Chemical Property of 3-[4-(TRIFLUOROMETHYL)ANILINO]PENTANAMIDE

Chemical Property:

• PSA: 55.12000
• LogP: 3.54460
• Solubility.: Chloroform, Methanol

Purity/Quality:

97% ^*data from raw suppliers

(3R)-3-[(4-Trifluoromethylphenyl)amino]pentanamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-[4-(TRIFLUOROMETHYL)ANILINO]PENTANAMIDE

There total 6 articles about 3-[4-(TRIFLUOROMETHYL)ANILINO]PENTANAMIDE 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: 71.0%

(R)-3-[4-(trifluoromethyl)phenylamino]-pentanoic acid (474645-90-4) → (3R)-3-(4-trifluoromethylphenylamino)pentanoic acid amide (667937-05-5)

Guidance literature:

(R)-3-[4-(trifluoromethyl)phenylamino]-pentanoic acid; With thionyl chloride; at 20 ℃; for 1h;

With ammonia; In tetrahydrofuran; water; at 20 ℃; for 0.5h;

Reference yield: 57.7%

3-(4-trifluoromethyl-phenylamino)-pentanoic acid methyl ester (749921-33-3) → (3R)-3-(4-trifluoromethylphenylamino)pentanoic acid amide (667937-05-5)

Guidance literature:

With ammonia; In methanol; at 100 ℃; for 48h;

Reference yield:

(R)-3-aminopentanenitrile methanesulfonic acid salt (474645-97-1) → (3R)-3-(4-trifluoromethylphenylamino)pentanoic acid amide (667937-05-5)

Guidance literature:

Multi-step reaction with 2 steps

1: palladium diacetate; caesium carbonate; DavePhos; phenylboronic acid / dichloromethane; toluene / 80 °C

2: sulfuric acid / toluene / 35 °C

With sulfuric acid; palladium diacetate; caesium carbonate; DavePhos; phenylboronic acid; In dichloromethane; toluene;

DOI:10.1016/j.bmcl.2012.04.042

upstream raw materials:

3-(4-trifluoromethyl-phenylamino)-pentanoic acid methyl ester

(R)-3-[4-(trifluoromethyl)phenylamino]-pentanoic acid

(R)-3-aminopentanenitrile methanesulfonic acid salt

4-chlorobenzotrifluoride

Downstream raw materials:

(3R)-[3-(4-trifluoromethylphenylamino)pentanoyl]carbamic acid methyl ester

(3R)-[3-(4-trifluoromethyl-phenylamino)-pentanoyl]-carbamic acid tert-butyl ester

(2R,4S)-(2-ethyl-6-trifluoromethyl-1,2,3,4-tetrahydroquinolin-4-yl)carbamic acid benzyl ester

C₂₆H₂₄F₉N₃O₂