4-BROMOMETHYL-3-CHLOROBENZOIC ACID

Base Information

• Chemical Name: 4-BROMOMETHYL-3-CHLOROBENZOIC ACID
• CAS No.: 467442-07-5
• Molecular Formula: C8H6BrClO2
• Molecular Weight: 249.491
• Mol file: 467442-07-5.mol

Synonyms:Benzoic acid, 4-(bromomethyl)-3-chloro-;

Chemical Property of 4-BROMOMETHYL-3-CHLOROBENZOIC ACID

Chemical Property:

• Boiling Point: 352.4 °C at 760 mmHg
• PKA: 3.73±0.10(Predicted)
• Flash Point: 166.9 °C
• PSA: 37.30000
• Density: 1.739 g/cm³
• LogP: 2.93310

Purity/Quality:

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

4-(Bromomethyl)-3-chlorobenzoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-BROMOMETHYL-3-CHLOROBENZOIC ACID

There total 2 articles about 4-BROMOMETHYL-3-CHLOROBENZOIC ACID 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-methylbenzoic acid (5162-82-3) → 4-bromomethyl-3-chloro-benzoic acid (467442-07-5)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; at 90 ℃;

DOI:10.1016/j.bmcl.2006.11.068

Reference yield:

4-(bromomethyl)-3-chlorobenzonitrile (21924-83-4) → 4-bromomethyl-3-chloro-benzoic acid (467442-07-5)

Guidance literature:

With water; hydrogen bromide; at 100 ℃;

Reference yield:

4-[(6-fluoro-4-oxo-4H-chromene-2-carbonyl)amino]piperidine (863116-25-0) + 4-bromomethyl-3-chloro-benzoic acid (467442-07-5) → 3-chloro-4-{4-[(7-fluoro-4-oxo-4H-chromene-2-carbonyl)-amino]-piperidin-1-ylmethyl}-benzoic acid (865449-91-8)

Guidance literature:

4-[(6-fluoro-4-oxo-4H-chromene-2-carbonyl)amino]piperidine; 4-bromomethyl-3-chloro-benzoic acid; With potassium carbonate; In ethanol; at 20 ℃;

With hydrogenchloride; In ethanol; water; pH=~ 2;

upstream raw materials:

3-chloro-4-methylbenzoic acid

4-(bromomethyl)-3-chlorobenzonitrile

Downstream raw materials:

3-chloro-4-{4-[(7-fluoro-4-oxo-4H-chromene-2-carbonyl)-amino]-piperidin-1-ylmethyl}-benzoic acid

4-{4-[5-Bromo-4-(4-cyano-2,6-dimethyl-phenoxy)-pyrimidin-2-ylamino]-piperidin-1-ylmethyl}-3-chloro-benzoic acid

Refernces

• 1、 -. "QUINOLINES AND THEIR THERAPEUTIC USE". Page/Page column 145-16. . Retrieved 2008/06/13.