Methyl 3-(bromomethyl)-4-chlorobenzoate

Base Information

• Chemical Name: Methyl 3-(bromomethyl)-4-chlorobenzoate
• CAS No.: 220464-68-6
• Molecular Formula: C9H8BrClO2
• Molecular Weight: 263.518
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID50478518
• Wikidata: Q82311961
• Mol file: 220464-68-6.mol

Synonyms:METHYL 3-(BROMOMETHYL)-4-CHLOROBENZOATE;220464-68-6;METHYL3-(BROMOMETHYL)-4-CHLOROBENZOATE;methyl 3-bromomethyl-4-chlorobenzoate;SCHEMBL694449;Benzoic acid,3-(bromomethyl)-4-chloro-, methyl ester;DTXSID50478518;OXXGTEJKZZKAJV-UHFFFAOYSA-N;methyl 3-bromomethy-4-chlorobenzoate;MFCD16036858;BS-53264;D94851;EN300-129748;Methyl 3-(bromomethyl)-4-chlorobenzoate, AldrichCPR

Chemical Property of Methyl 3-(bromomethyl)-4-chlorobenzoate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.572
• Boiling Point: 314.583 °C at 760 mmHg
• Flash Point: 144.055 °C
• PSA: 26.30000
• Density: 1.561 g/cm³
• LogP: 3.02150
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 261.93962
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

98%min ^*data from raw suppliers

methyl3-(bromomethyl)-4-chlorobenzoate 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=C(C=C1)Cl)CBr

Technology Process of Methyl 3-(bromomethyl)-4-chlorobenzoate

There total 3 articles about Methyl 3-(bromomethyl)-4-chlorobenzoate 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: 86.6%

methyl 4-chloro-3-methylbenzoate (91367-05-4) → methyl 3-(bromomethyl)-4-chlorobenzoate (220464-68-6)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); N-ethyl-N,N-diisopropylamine; In tetrachloromethane; at 80 ℃; for 16h;

Reference yield:

→ methyl 3-(bromomethyl)-4-chlorobenzoate (220464-68-6)

Guidance literature:

With thionyl chloride; at 0 - 20 ℃;

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; at 80 ℃; for 16h;

Reference yield:

→ methyl 3-(bromomethyl)-4-chlorobenzoate (220464-68-6) + methyl 3-bromomethy-4-chlorobenzoate

Guidance literature:

upstream raw materials:

methyl 4-chloro-3-methylbenzoate

Downstream raw materials:

methyl 4-chloro-3-(cyanomethyl)benzoate

3-(2-Chloro-5-methoxycarbonylbenzyl)-tetrahydrothiopyrane-2-one

C₈H₆BrClO₂

4-chloro-3-(hydroxymethyl)benzoic acid

Refernces

• 1、 -. "Piperidine compound and preparation method and medical application thereof". Paragraph 0384-0395; 0400; 0384-0395; 0401. . Retrieved 2021/04/07.
• 2、 -. "COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF". Paragraph 0235. . Retrieved 2018/10/19.