3-CHLORO-4-(TRIFLUOROMETHYL)BENZYL AMINE

Base Information

• Chemical Name: 3-CHLORO-4-(TRIFLUOROMETHYL)BENZYL AMINE
• CAS No.: 361393-93-3
• Molecular Formula: C₈H₇ClF₃N
• Molecular Weight: 209.598
• Hs Code.: 2921499090
• Mol file: 361393-93-3.mol

Synonyms:RARECHEM AL BW 1056;3-CHLORO-4-(TRIFLUOROMETHYL)BENZYL AMINE;(3-chloro-4-(trifluoroMethyl)phenyl)MethanaMine

Chemical Property of 3-CHLORO-4-(TRIFLUOROMETHYL)BENZYL AMINE

Chemical Property:

• Vapor Pressure: 0.056mmHg at 25°C
• Refractive Index: 1.487
• Boiling Point: 233.304°C at 760 mmHg
• PKA: 8.31±0.10(Predicted)
• Flash Point: 94.899°C
• PSA: 26.02000
• Density: 1.353g/cm³
• LogP: 3.51780
• Storage Temp.: 2-8°C(protect from light)
• Sensitive.: Air Sensitive
• Water Solubility.: Insoluble in water.

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-4-(trifluoromethyl)benzylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Uses: It is used as a pharmaceutical intermediate and a primary and secondary intermediate.

Technology Process of 3-CHLORO-4-(TRIFLUOROMETHYL)BENZYL AMINE

There total 2 articles about 3-CHLORO-4-(TRIFLUOROMETHYL)BENZYL AMINE 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:

3-chloro-4-(trifluoromethyl)benzyl bromide (361393-92-2) → 3-chloro-4-trifluoromethylbenzylamine (361393-93-3)

Guidance literature:

With ammonium hydroxide; sodium bicarbonate; triethylamine; In n-heptane; ethyl acetate; N,N-dimethyl-formamide;

Reference yield:

C22H18ClF3N2 + benzylamine (100-46-9) → 3-chloro-4-trifluoromethylbenzylamine (361393-93-3) + C21H20N2

Guidance literature:

In dimethylsulfoxide-d6; Equilibrium constant;

DOI:10.1002/chem.201606040

Reference yield:

3-chloro-4-trifluoromethylbenzylamine (361393-93-3) → 3-(((4-(tert-butyl)benzyl)(3-chloro-4-(trifluoromethyl)benzyl)amino)methyl)-6-methoxyquinolin-2(1H)-one

Guidance literature:

Multi-step reaction with 2 steps

1: palladium 10% on activated carbon; hydrogen / chloroform; methanol

2: potassium carbonate / N,N-dimethyl-formamide / 12 h / 80 °C

With palladium 10% on activated carbon; hydrogen; potassium carbonate; In methanol; chloroform; N,N-dimethyl-formamide;

DOI:10.1021/acs.jmedchem.1c01527

upstream raw materials:

3-chloro-4-(trifluoromethyl)benzyl bromide

benzylamine

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