Benzoic acid, 2-bromo-4-fluoro-, ethyl ester

Base Information

• Chemical Name: Benzoic acid, 2-bromo-4-fluoro-, ethyl ester
• CAS No.: 651341-68-3
• Molecular Formula: C9H8BrFO2
• Molecular Weight: 247.064
• Hs Code.: 2916399090
• Mol file: 651341-68-3.mol

Synonyms:QC-7930;Benzoic acid,2-bromo-4-fluoro-,ethyl ester;

Chemical Property of Benzoic acid, 2-bromo-4-fluoro-, ethyl ester

Chemical Property:

• Vapor Pressure: 0.013mmHg at 25°C
• Boiling Point: 258.859oC at 760 mmHg
• Flash Point: 110.354oC
• PSA: 26.30000
• Density: 1.504g/cm3
• LogP: 2.76490
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

Ethyl 2-bromo-4-fluorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 2-bromo-4-fluoro-, ethyl ester

There total 2 articles about Benzoic acid, 2-bromo-4-fluoro-, ethyl 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: 97.2%

ethanol (64-17-5) + 2-bromo-4-fluorobenzoic acid (1006-41-3) → 2-bromo-4-fluoro-benzoic acid ethyl ester (651341-68-3)

Guidance literature:

With sulfuric acid; at 15 - 85 ℃;

Reference yield: 68.0%

4-fluorobenzoic acid ethyl ester (451-46-7) → 2-bromo-4-fluoro-benzoic acid ethyl ester (651341-68-3)

Guidance literature:

With N-Bromosuccinimide; trifluorormethanesulfonic acid; palladium diacetate; N-fluoropyridinium triflate; In 1,2-dichloro-ethane; at 90 ℃; for 4h; regioselective reaction; Sealed tube;

DOI:10.1002/anie.201300176

Reference yield: 94.0%

2-bromo-4-fluoro-benzoic acid ethyl ester (651341-68-3) + benzylacrylate (2495-35-4,25036-21-9) → ethyl (E)-2-(3-(benzyloxy)-3-oxoprop-1-en-1-yl)-4-fluorobenzoate

Guidance literature:

With tetrabutylammomium bromide; sodium acetate; palladium diacetate; In N,N-dimethyl acetamide; at 100 - 105 ℃; for 5h; Reagent/catalyst; Temperature; Solvent; Schlenk technique; Inert atmosphere;

upstream raw materials:

4-fluorobenzoic acid ethyl ester

ethanol

2-bromo-4-fluorobenzoic acid

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