3-bromomethyl-4-cyanobenzoic acid methyl ester

Base Information

• Chemical Name: 3-bromomethyl-4-cyanobenzoic acid methyl ester
• CAS No.: 908562-25-4
• Molecular Formula: C10H8BrNO2
• Molecular Weight: 254.08000
• Hs Code.: 2926909090
• Mol file: 908562-25-4.mol

Synonyms:OR2661;

Chemical Property of 3-bromomethyl-4-cyanobenzoic acid methyl ester

Chemical Property:

• Vapor Pressure: 1.25E-05mmHg at 25°C
• Boiling Point: 368.7oC at 760 mmHg
• Flash Point: 176.8oC
• PSA: 50.09000
• Density: 1.53g/cm3
• LogP: 2.23978

Purity/Quality:

98%Min ^*data from raw suppliers

Methyl 3-(bromomethyl)-4-cyanobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-bromomethyl-4-cyanobenzoic acid methyl ester

There total 2 articles about 3-bromomethyl-4-cyanobenzoic acid methyl ester 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: 60.0%

→ methyl 3-bromomethyl-4-cyanobenzoate (908562-25-4)

Guidance literature:

Reference yield:

methyl 4-cyano-3-methylbenzoate (25978-68-1) → methyl 3-bromomethyl-4-cyanobenzoate (908562-25-4)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In tetrachloromethane; at 70 ℃; for 6h;

DOI:10.1016/j.bmc.2021.116280

Reference yield:

N-hydroxyphthalimide (524-38-9) + methyl 3-bromomethyl-4-cyanobenzoate (908562-25-4) → C18H12N2O5

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 70 ℃; for 8h; Inert atmosphere;

DOI:10.1016/j.bmc.2021.116280

upstream raw materials:

methyl 4-cyano-3-methylbenzoate

Downstream raw materials:

C₉H₆BrNO₂

C₉H₇NO₃