Methyl 2-bromo-6-methylbenzoate

Base Information

• Chemical Name: Methyl 2-bromo-6-methylbenzoate
• CAS No.: 99548-56-8
• Molecular Formula: C9H9BrO2
• Molecular Weight: 229.073
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID10468677
• Wikidata: Q72488675
• Mol file: 99548-56-8.mol

Synonyms:Methyl 2-bromo-6-methylbenzoate;99548-56-8;2-Bromo-6-methyl-benzoic acid methyl ester;MFCD09260938;Methyl 2-bromo-6-methyl-benzoate;Methyl2-bromo-6-methylbenzoate;Benzoic acid, 2-bromo-6-methyl-, methyl ester;SCHEMBL833170;DTXSID10468677;DDJSNWUTQDNGIZ-UHFFFAOYSA-N;AMY23083;CL8529;AKOS015890711;CS-W004694;GS-4168;SB40378;SY046597;FT-0649271;A856363;J-521970

Chemical Property of Methyl 2-bromo-6-methylbenzoate

Chemical Property:

• Boiling Point: 254.288 °C at 760 mmHg
• Flash Point: 107.59 °C
• PSA: 26.30000
• Density: 1.434 g/cm³
• LogP: 2.54410
• Storage Temp.: Room temperature.
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 227.97859
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

Methyl2-Bromo-6-methylbenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-bromo-6-methylbenzoate

There total 10 articles about Methyl 2-bromo-6-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: 100.0%

2-bromo-6-methylbenzoic acid (90259-31-7) → methyl 2-bromo-6-methyl-benzoate (99548-56-8)

Guidance literature:

2-bromo-6-methylbenzoic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 0 ℃; for 1 - 2h;

With methanol; for 16h;

Reference yield: 100.0%

2-bromo-6-methylbenzoic acid (90259-31-7) + diazomethyl-trimethyl-silane (18107-18-1) → methyl 2-bromo-6-methyl-benzoate (99548-56-8)

Guidance literature:

In methanol; diethyl ether; toluene; for 2h; Inert atmosphere; Schlenk technique;

DOI:10.1002/anie.201209582

Reference yield: 97.0%

2-amino-6-methylbenzoic acid methyl ester (18595-13-6) → methyl 2-bromo-6-methyl-benzoate (99548-56-8)

Guidance literature:

2-amino-6-methylbenzoic acid methyl ester; With hydrogen bromide; sodium nitrite;

With hydrogen bromide; copper(I) bromide; at 0 - 20 ℃;

DOI:10.1039/b512877c

upstream raw materials:

methanol

2-bromo-6-methylbenzoyl chloride

2-amino-6-methylbenzoic acid methyl ester

2-methyl-6-nitrobenzoic acid

Downstream raw materials:

methyl?2-bromo-6-(bromomethyl)benzoate

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

methyl 2-cyano-6-methylbenzoate

7-(4-Fluorophenyl)-2-(2-thieno[3,2-b]pyridin-5-ylethyl)isoindolin-1-one

Refernces

• 1、 -. "NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A". . . Retrieved 2013/02/28.
• 2、 -. "PHARMACEUTICAL PRODUCT CONTAINING LACTAM OR BENZENE SULFONAMIDE COMPOUND". Page/Page column 101. . Retrieved 2012/06/01.