Ethyl 3-bromo-2-methylbenzoate

Base Information

• Chemical Name: Ethyl 3-bromo-2-methylbenzoate
• CAS No.: 103038-43-3
• Molecular Formula: C10H11BrO2
• Molecular Weight: 243.1
• European Community (EC) Number: 959-375-2
• Mol file: 103038-43-3.mol

Synonyms:ETHYL 3-BROMO-2-METHYLBENZOATE;103038-43-3;3-Bromo-2-methylbenzoic acid ethyl ester;Benzoic acid, 3-broMo-2-Methyl-, ethyl ester;MFCD09751941;3-bromo-2-methyl Benzoic acid ethyl ester;SCHEMBL265052;ETHYL3-BROMO-2-METHYLBENZOATE;AKOS014882718;BS-50778;SY240035;DB-366072;CS-0112921

Chemical Property of Ethyl 3-bromo-2-methylbenzoate

Chemical Property:

• PSA: 113.49000
• LogP: 0.34720
• XLogP3: 3.2
• 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:

99% ^*data from raw suppliers

Ethyl3-Bromo-2-methylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C(=CC=C1)Br)C

Technology Process of Ethyl 3-bromo-2-methylbenzoate

There total 4 articles about Ethyl 3-bromo-2-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: 97.0%

ethanol (64-17-5) + 3-bromo-2-methylbenzoic acid (76006-33-2) → 3-bromo-2-methyl-benzoic acid ethyl ester (103038-43-3)

Guidance literature:

With sulfuric acid; In benzene; Heating;

DOI:10.1002/chem.201000315

Reference yield:

ethyl 3-amino-4-chloro-2-methylbenzoate + copper(I) bromide (7787-70-4) → ethyl 3-bromo-4-chloro-2-methylbenzoate + 3-bromo-2-methyl-benzoic acid ethyl ester (103038-43-3)

Guidance literature:

With sodium nitrite; In sulfuric acid; water; hydrogen bromide; acetic acid;

Reference yield:

3'-bromo-2'-methylbenzonitrile (52780-15-1) → 3-bromo-2-methyl-benzoic acid ethyl ester (103038-43-3)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. KOH

2: H₂SO₄

With potassium hydroxide; sulfuric acid;

DOI:10.1021/ja01465a044

upstream raw materials:

ethanol

3-bromo-2-methylbenzoic acid

3'-bromo-2'-methylbenzonitrile

copper(I) bromide

Downstream raw materials:

2,3,2',3'-tetramethyl-bibenzyl

1-bromo-3-(bromomethyl)-2-methylbenzene

3,3'-Dibromo-2,2'-dimethyldiphenylethane

1,2-bis(3'-bromomethyl-2'-methylphenyl)ethane

Refernces

• 1、 -. "Nitrophenyl ether compounds, and preparation methods, pharmaceutical compositions and application thereof". Paragraph 0077-0081. . Retrieved 2020/06/09.
• 2、 -. "ISOPROPYL TRIAZOLO PYRIDINE COMPOUNDS". Paragraph 0042-0044. . Retrieved 2016/12/01.