Methyl 2-bromomethyl-4-cyanobenzoate

Base Information

• Chemical Name: Methyl 2-bromomethyl-4-cyanobenzoate
• CAS No.: 165111-46-6
• Molecular Formula: C10H8BrNO2
• Molecular Weight: 254.083
• Hs Code.: 2926909090
• Mol file: 165111-46-6.mol

Synonyms:2-Bromomethyl-4-cyanobenzoic acid methyl ester;Methyl 2-(bromomethyl)-4-cyanobenzoate;

Chemical Property of Methyl 2-bromomethyl-4-cyanobenzoate

Chemical Property:

• Boiling Point: 380.5 °C at 760 mmHg
• Flash Point: 183.9 °C
• PSA: 50.09000
• Density: 1.53 g/cm³
• LogP: 2.23978
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C

Purity/Quality:

97% ^*data from raw suppliers

Methyl 2-bromomethyl-4-cyanobenzoate 95.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Methyl 2-bromomethyl-4-cyanobenzoate

There total 3 articles about Methyl 2-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: 100.0%

4-cyano-2-methylbenzoic acid methyl ester (103261-67-2) → 2-bromomethyl-4-cyano-benzoic acid methyl ester (165111-46-6)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; at 20 ℃; for 4h;

Reference yield:

4-bromo-2-methyl-benzoic acid methyl ester (99548-55-7) → 2-bromomethyl-4-cyano-benzoic acid methyl ester (165111-46-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 5 h / 180 °C / Inert atmosphere

2: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / 3 h / Inert atmosphere; Reflux

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane;

Reference yield:

4-bromo-2-methylbenzoic acid (68837-59-2) → 2-bromomethyl-4-cyano-benzoic acid methyl ester (165111-46-6)

Guidance literature:

Multi-step reaction with 3 steps

1: thionyl chloride / 2 h / 70 °C / Inert atmosphere

2: 5 h / 180 °C / Inert atmosphere

3: N-Bromosuccinimide; dibenzoyl peroxide / tetrachloromethane / 3 h / Inert atmosphere; Reflux

With N-Bromosuccinimide; thionyl chloride; dibenzoyl peroxide; In tetrachloromethane;

upstream raw materials:

4-cyano-2-methylbenzoic acid methyl ester

4-bromo-2-methylbenzoic acid

4-bromo-2-methyl-benzoic acid methyl ester

Downstream raw materials:

5-[5-(6-cyano-1-oxo-1,3-dihydro-isoindol-2-ylmethyl)-3-methyl-1H-pyrazol-4yloxy]-isophthalonitrile

methyl 4-cyano-2-(4-hydroxyphenoxy)methylbenzoate

3-(5-Cyano-1-oxoisoindolin-2-yl)benzoic acid

2-(4-methoxy-benzyl)-1-oxo-2,3-dihydro-1H-isoindole-5-carbonitrile