ETHYL 2-BROMO-4,5-DIFLUOROBENZOATE

Base Information

• Chemical Name: ETHYL 2-BROMO-4,5-DIFLUOROBENZOATE
• CAS No.: 144267-97-0
• Molecular Formula: C9H7BrF2O2
• Molecular Weight: 265.054
• Hs Code.: 2916399090

Synonyms:Benzenepropanoic acid,a-bromo-4-methoxy-b-oxo-,ethyl ester;

Chemical Property of ETHYL 2-BROMO-4,5-DIFLUOROBENZOATE

Chemical Property:

• Vapor Pressure: 0.00857mmHg at 25°C
• Boiling Point: 266.6oC at 760 mmHg
• Flash Point: 115oC
• PSA: 26.30000
• Density: 1.573g/cm3
• LogP: 2.90400
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-Bromo-4,5-difluorobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Ethyl 2-Bromo-4,5-difluorobenzoate is used in preparation of Nitrogen-containing Macrocyclic compounds useful as BRD4 inhibitors for the treatment of inflammatory disease, cancer, and autoimmune disease.

Technology Process of ETHYL 2-BROMO-4,5-DIFLUOROBENZOATE

There total 3 articles about ETHYL 2-BROMO-4,5-DIFLUOROBENZOATE 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: 88.0%

dicobalt octacarbonyl (15226-74-1,61091-28-9,61117-58-6) + ethanol (64-17-5) + 2-bromo-4,5-difluorophenyl 2,3,4,5,6-pentafluorobenzenesulfonate → ethyl 2-bromo-4,5-difluorobenzoate (144267-97-0)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; at 20 ℃; for 16h; chemoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1002/adsc.201600736

Reference yield: 85.0%

dicobalt octacarbonyl (15226-74-1,61091-28-9,61117-58-6) + ethanol (64-17-5) + 2-bromo-4,5-difluorophenyl trifluoromethanesulfonate (236387-37-4) → ethyl 2-bromo-4,5-difluorobenzoate (144267-97-0)

Guidance literature:

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; at 20 ℃; for 16h; chemoselective reaction; Schlenk technique; Inert atmosphere;

DOI:10.1002/adsc.201600736

Reference yield:

2-bromo-4,5-difluorophenol (166281-37-4) → ethyl 2-bromo-4,5-difluorobenzoate (144267-97-0)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / dichloromethane / 0 - 20 °C

2: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate / 16 h / 20 °C / Schlenk technique; Inert atmosphere

With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; potassium acetate; triethylamine; In dichloromethane;

DOI:10.1002/adsc.201600736

upstream raw materials:

dicobalt octacarbonyl

ethanol

2-bromo-4,5-difluorophenyl trifluoromethanesulfonate

2-bromo-4,5-difluorophenol

Downstream raw materials:

4-(5-benzamido-1H-indol-1-yl)-5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl acetate

4-(5-benzamido-1H-indol-1-yl)-2-bromo-5-fluorobenzyl acetate

N-(1-(5-bromo-2-fluoro-4-(hydroxymethyl)phenyl)-1H-indol-5-yl)benzamide

ethyl 4-(5-benzamido-1H-indol-1-yl)-2-bromo-5-fluorobenzoate

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