2-Bromo-1-(3,5-difluorophenyl)ethanone

Base Information

• Chemical Name: 2-Bromo-1-(3,5-difluorophenyl)ethanone
• CAS No.: 220607-75-0
• Molecular Formula: C8H5BrF2O
• Molecular Weight: 235.028
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID50380869
• Wikidata: Q72454495
• Mol file: 220607-75-0.mol

Synonyms:220607-75-0;2-bromo-1-(3,5-difluorophenyl)ethanone;2-bromo-3',5'-difluoroacetophenone;3,5-DIFLUOROPHENACYL BROMIDE;Ethanone, 2-bromo-1-(3,5-difluorophenyl)-;2-bromo-1-(3,5-difluorophenyl)-1-ethanone;2-BROMO-3,5-DIFLUOROACETOPHENONE;2-bromo-1-(3,5-difluorophenyl)ethan-1-one;SCHEMBL976560;DTXSID50380869;CJEGSZFRYLCTLK-UHFFFAOYSA-N;CS-M0153;CL8630;MFCD03094245;AKOS015836060;AM62569;AS-46061;2-bromo-1-(3,5-difluorophenyl) ethanone;2-bromo-1-(3,5-difluorophenyl)-ethanone;2-bromo-1-(3,5-difluoro-phenyl)-ethanone;A4745;FT-0651188;EN300-182828;Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid(I);2-Bromo-1-(3,5-difluorophenyl)ethanone, AldrichCPR

Chemical Property of 2-Bromo-1-(3,5-difluorophenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.0281mmHg at 25°C
• Refractive Index: 1.529
• Boiling Point: 245.786 °C at 760 mmHg
• Flash Point: 102.448 °C
• PSA: 17.07000
• Density: 1.649 g/cm³
• LogP: 2.54240
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 233.94918
• Heavy Atom Count: 12
• Complexity: 164

Purity/Quality:

98% ^*data from raw suppliers

2-Bromo-1-(3,5-difluorophenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, C
• Hazard Codes: C,F

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1F)F)C(=O)CBr

Technology Process of 2-Bromo-1-(3,5-difluorophenyl)ethanone

There total 5 articles about 2-Bromo-1-(3,5-difluorophenyl)ethanone 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: 86.6%

→ 2-bromo-1-(3,5-difluorophenyl)ethanone (220607-75-0)

Guidance literature:

With N-Bromosuccinimide; sulfuric acid; In acetic acid; at 10 - 30 ℃; Industry scale;

Reference yield: 85.0%

3′,5′-difluoroacetophenone (123577-99-1) → 2-bromo-1-(3,5-difluorophenyl)ethanone (220607-75-0)

Guidance literature:

With N-Bromosuccinimide; sulfuric acid; acetic acid; at 5 - 10 ℃;

DOI:10.1021/op400150w

Reference yield: 44.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 3,5-difluorobenzoic acid (455-40-3) → 2-bromo-1-(3,5-difluorophenyl)ethanone (220607-75-0)

Guidance literature:

3,5-difluorobenzoic acid; With oxalyl dichloride; In dichloromethane; N,N-dimethyl-formamide; at 0 - 20 ℃; for 2h; Inert atmosphere;

diazomethane; In diethyl ether; at 0 ℃; for 2h; Inert atmosphere;

With hydrogen bromide; In diethyl ether; water; at 0 - 20 ℃; for 18h;

upstream raw materials:

3′,5′-difluoroacetophenone

methanol

3,5-difluorobromobenzene

diazomethane

Downstream raw materials:

2-{[2-(3,5-difluorophenyl)-2-oxoethyl]thio}-2-methylpropanoic acid

methyl 2-{[2-(3 5-difluorophenyl)-2-oxoethyl]amino}-2-methylpropanoate

methyl 2-{[2-(3,5-difluorophenyl)-2-oxoethyl]amino}-2-ethylbutanoate

methyl 1-{[2-(3,5-difluorophenyl)-2-oxoethyl]amino}cyclopentanecarboxylate