5-Bromo-2-fluoro-4-methylbenzoic acid

Base Information

• Chemical Name: 5-Bromo-2-fluoro-4-methylbenzoic acid
• CAS No.: 515135-65-6
• Molecular Formula: C8H6BrFO2
• Molecular Weight: 233.037
• Hs Code.: 2916399090
• European Community (EC) Number: 851-945-8
• Mol file: 515135-65-6.mol

Synonyms:5-Bromo-2-fluoro-4-methylbenzoic acid;515135-65-6;Benzoic acid, 5-bromo-2-fluoro-4-methyl-;5-Bromo-2-fluoro-4-methyl-benzoic acid;MFCD23712067;SCHEMBL2975126;BGBAXZILVNOSAT-UHFFFAOYSA-N;5-Bromo-2-fluoro-4-methylbenzoicacid;AKOS020008029;SB37438;AS-43288;SY286299;DB-206774;CS-0096422;EN300-120256;Z1450923293

Chemical Property of 5-Bromo-2-fluoro-4-methylbenzoic acid

Chemical Property:

• PSA: 37.30000
• LogP: 2.59480
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 231.95352
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

5-Bromo-2-fluoro-4-methylbenzoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1Br)C(=O)O)F

Technology Process of 5-Bromo-2-fluoro-4-methylbenzoic acid

There total 1 articles about 5-Bromo-2-fluoro-4-methylbenzoic acid 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: 98.0%

2-fluoro-4-methylbenzoic Acid (7697-23-6) → 5-bromo-2-fluoro-4-methylbenzoic acid (515135-65-6)

Guidance literature:

With N-Bromosuccinimide; sulfuric acid; at 20 ℃; for 16h;

Reference yield: 89.54%

1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (1151802-22-0) + 5-bromo-2-fluoro-4-methylbenzoic acid (515135-65-6) → 5-(1-cyclopropyl-1H-pyrazol-4-yl)-2-fluoro-4-methylbenzoic acid

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In 1,2-dimethoxyethane; water; at 100 ℃; for 1h; Inert atmosphere;

Reference yield: 89.0%

methanol (67-56-1) + 5-bromo-2-fluoro-4-methylbenzoic acid (515135-65-6) → 5-bromo-2-fluoro-4-methylbenzoic acid methyl ester (478374-76-4)

Guidance literature:

5-bromo-2-fluoro-4-methylbenzoic acid; With thionyl chloride; In N,N-dimethyl-formamide; Reflux;

methanol; In dichloromethane; at 0 - 20 ℃; for 0.5h;

upstream raw materials:

2-fluoro-4-methylbenzoic Acid

Downstream raw materials:

5-bromo-2-fluoro-4-methylbenzoic acid methyl ester

Refernces

• 1、 -. "2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-4-METHYLBENZAMIDE DERIVATIVES AND SIMILAR COMPOUNDS AS RIPK2 INHIBITORS FOR TREATING E.G. AUTOIMMUNE DISEASES". Paragraph 0207-0208. . Retrieved 2020/10/20.
• 2、 -. "PYRIDINE DERIVATIVE AS ASK1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF". Paragraph 0104-0106. . Retrieved 2019/12/05.