2-Chloro-3-fluorobenzyl bromide

Base Information

• Chemical Name: 2-Chloro-3-fluorobenzyl bromide
• CAS No.: 874285-19-5
• Molecular Formula: C7H5BrClF
• Molecular Weight: 223.472
• Hs Code.: 2903999090
• Mol file: 874285-19-5.mol

Synonyms:1-(bromomethyl)-2-chloro-3-fluoro-benzene;2-Chloro-3-fluorobenzylbromide;benzene, 1-(bromomethyl)-2-chloro-3-fluoro-;

Chemical Property of 2-Chloro-3-fluorobenzyl bromide

Chemical Property:

• Vapor Pressure: 0.119mmHg at 25°C
• Refractive Index: 1.561
• Boiling Point: 227.1 °C at 760 mmHg
• Flash Point: 91.1 °C
• PSA: 0.00000
• Density: 1.654 g/cm³
• LogP: 3.37400
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloro-3-fluorobenzylBromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 2-Chloro-3-fluorobenzyl Bromide is a reagent used as an integrase strand-transfer inhibitor.

Technology Process of 2-Chloro-3-fluorobenzyl bromide

There total 3 articles about 2-Chloro-3-fluorobenzyl bromide 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: 99.0%

(2-chloro-3-fluorophenyl)methanol (96516-32-4) → 1-(bromomethyl)-2-chloro-3-fluorobenzene (874285-19-5)

Guidance literature:

(2-chloro-3-fluorophenyl)methanol; With methanesulfonyl chloride; triethylamine; In tetrahydrofuran; at 0 ℃; for 1h; Inert atmosphere;

With lithium bromide; In tetrahydrofuran; at 0 ℃; for 1.25h; Inert atmosphere;

DOI:10.1021/jm900460z

Reference yield: 28.0%

→ 1-(bromomethyl)-2-chloro-3-fluorobenzene (874285-19-5)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 20 ℃;

Reference yield:

3-chloro-3-fluorobenzoic acid (102940-86-3) → 1-(bromomethyl)-2-chloro-3-fluorobenzene (874285-19-5)

Guidance literature:

Multi-step reaction with 2 steps

1: borane-THF / tetrahydrofuran / 10 h / Inert atmosphere; Reflux

2: phosphorus tribromide / diethyl ether / 0 - 20 °C / Inert atmosphere

With borane-THF; phosphorus tribromide; In tetrahydrofuran; diethyl ether;

DOI:10.1021/acsmedchemlett.6b00234

upstream raw materials:

(2-chloro-3-fluorophenyl)methanol

3-chloro-3-fluorobenzoic acid

Downstream raw materials:

3-acetyl-1-(2-chloro-3-fluorobenzyl)-4-methoxy-1H-indole

Refernces

• 1、 -. "NOVEL [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES". Paragraph 0286; 0339; 0340. . Retrieved 2013/06/05.