Benzoic acid, 2-fluoro-6-methyl-, methyl ester

Base Information

• Chemical Name: Benzoic acid, 2-fluoro-6-methyl-, methyl ester
• CAS No.: 197516-57-7
• Molecular Formula: C9H9FO2
• Molecular Weight: 168.16500
• Hs Code.: 2916399090
• Mol file: 197516-57-7.mol

Synonyms:CL9024;Benzoic acid,2-fluoro-6-methyl-,methyl ester;

Chemical Property of Benzoic acid, 2-fluoro-6-methyl-, methyl ester

Chemical Property:

• PSA: 26.30000
• LogP: 1.92070
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%Min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 2-fluoro-6-methyl-, methyl ester

There total 2 articles about Benzoic acid, 2-fluoro-6-methyl-, methyl ester 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: 45.8%

methanol (67-56-1) + 2-fluoro-6-methylbenzoic acid (90259-27-1) → methyl 2-methyl-6-fluorobenzoate (197516-57-7)

Guidance literature:

With thionyl chloride; for 3h; Inert atmosphere; Reflux;

Reference yield:

lithium methanolate (865-34-9) + 5-Fluoro-bicyclo[4.2.0]octa-1,3,5-trien-7-one (118112-20-2) → methyl (3-fluorophenyl)acetate (64123-77-9) + methyl 2-methyl-6-fluorobenzoate (197516-57-7)

Guidance literature:

In tetrahydrofuran; at -20 ℃; for 0.416667h; Product distribution; variation of reagent;

DOI:10.1002/hlca.19980810207

Reference yield:

methyl 2-methyl-6-fluorobenzoate (197516-57-7) → methyl 3-bromo-6-fluoro-2-methylbenzoate (1415045-22-5)

Guidance literature:

With N-Bromosuccinimide; sulfuric acid; at 0 ℃; for 3h;

upstream raw materials:

lithium methanolate

5-Fluoro-bicyclo[4.2.0]octa-1,3,5-trien-7-one

methanol

2-fluoro-6-methylbenzoic acid

Downstream raw materials:

methyl 3-bromo-6-fluoro-2-methylbenzoate

Refernces

• 1、 Gokhale, Abha,Schiess, Peter. "Regioselectivity of the Base-Induced Ring Cleavage of 1-Oxygenated Derivatives of Cyclobutabenzene". . p. 251 - 267. Retrieved 2007/10/03.