Methyl 3-bromomethyl-4-cyanobenzoate

Base Information

• Chemical Name: Methyl 3-bromomethyl-4-cyanobenzoate
• CAS No.: 908562-24-3
• Molecular Formula: C10H8 Br N O2
• Molecular Weight: 254.08000
• Mol file: 908562-24-3.mol

Synonyms:methyl 2-bromomethyl-3-cyano-benzoate;

Chemical Property of Methyl 3-bromomethyl-4-cyanobenzoate

Chemical Property:

• PSA: 50.09000
• LogP: 2.23978
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

Methyl2-(bromomethyl)-3-cyanobenzoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Methyl 3-bromomethyl-4-cyanobenzoate

There total 1 articles about Methyl 3-bromomethyl-4-cyanobenzoate 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-bromo-2-methylbenzoic acid (76006-33-2) → methyl 2-bromomethyl-3-cyano-benzoate (908562-24-3)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfuric acid / 6 h / Heating / reflux

2: sodium carbonate / palladium diacetate / N,N-dimethyl acetamide / 10 h / 120 °C

3: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 6 h / Heating / reflux

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); sulfuric acid; sodium carbonate; palladium diacetate; In tetrachloromethane; N,N-dimethyl acetamide;

Reference yield:

methyl 2-bromomethyl-3-cyano-benzoate (908562-24-3) + 6,7-difluoro-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinoline (346603-43-8) → Methyl 2-[4-[(E)-2-(6,7-difluoro-2-quinolinyl)ethenyl]phenoxymethyl]-3-cyano-benzoate (346603-47-2)

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 70 ℃; for 1h;

Reference yield:

methyl 2-bromomethyl-3-cyano-benzoate (908562-24-3) → C15H10ClN3O

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / Reflux

2: palladium on activated charcoal; hydrogen / ethanol / 20 °C

With palladium on activated charcoal; hydrogen; acetic acid; In ethanol;

DOI:10.1016/j.bmcl.2016.03.031

upstream raw materials:

3-bromo-2-methylbenzoic acid

Downstream raw materials:

Methyl 2-[4-[(E)-2-(6,7-difluoro-2-quinolinyl)ethenyl]phenoxymethyl]-3-cyano-benzoate