Methyl 3-(Bromomethyl)-5-methylbenzoate

Base Information

• Chemical Name: Methyl 3-(Bromomethyl)-5-methylbenzoate
• CAS No.: 120511-79-7
• Molecular Formula: C10H11BrO2
• Molecular Weight: 243.1
• DSSTox Substance ID: DTXSID10598266
• Wikidata: Q82494003
• Mol file: 120511-79-7.mol

Synonyms:Methyl 3-(Bromomethyl)-5-methylbenzoate;120511-79-7;Benzoic acid, 3-(bromomethyl)-5-methyl-, methyl ester;SCHEMBL334559;DTXSID10598266;LOYWLECAZBDCSU-UHFFFAOYSA-N;methyl-3-bromomethyl-5-methylbenzoate;DB-319917

Chemical Property of Methyl 3-(Bromomethyl)-5-methylbenzoate

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 241.99424
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1)C(=O)OC)CBr

Technology Process of Methyl 3-(Bromomethyl)-5-methylbenzoate

There total 4 articles about Methyl 3-(Bromomethyl)-5-methylbenzoate 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: 85.0%

methyl 3,5-dimethylbenzoate (25081-39-4) → methyl 3,5-bis(bromomethyl)benzoate (29333-41-3) + 3-bromomethyl-5-methyl-benzoic acid methyl ester (120511-79-7)

Guidance literature:

With sodium bromate; sodium hydrogensulfite; In water; ethyl acetate; at 20 ℃; for 4h;

DOI:10.1039/b707768h

Reference yield: 62.0%

→ 3-bromomethyl-5-methyl-benzoic acid methyl ester (120511-79-7)

Guidance literature:

Reference yield:

methyl 3,5-dimethylbenzoate (25081-39-4) → 3-bromomethyl-5-methyl-benzoic acid methyl ester (120511-79-7)

Guidance literature:

With sodium bromate; potassium hydrogensulfate; In water; ethyl acetate; at 20 ℃; for 5h; Product distribution / selectivity;

upstream raw materials:

methyl 3,5-dimethylbenzoate

3,5-dimethylbenzoic acid

Downstream raw materials:

methyl-3-acetoxymethyl-5-methylbenzoate