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

Base Information

• Chemical Name: 2-Bromo-1-(2,5-difluorophenyl)ethanone
• CAS No.: 258513-41-6
• Molecular Formula: C8H5BrF2O
• Molecular Weight: 235.028
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID00380839
• Wikidata: Q72463620
• Mol file: 258513-41-6.mol

Synonyms:258513-41-6;2-bromo-1-(2,5-difluorophenyl)ethanone;2,5-DIFLUOROPHENACYL BROMIDE;2-Bromo-2',5'-difluoroacetophenone;2-Bromo-1-(2,5-Difluorophenyl)Ethan-1-One;Ethanone, 2-bromo-1-(2,5-difluorophenyl)-;SCHEMBL2099037;DTXSID00380839;SFUWMFXQRHHPJP-UHFFFAOYSA-N;MFCD00142839;ZB0685;AKOS000210890;PS-9968;2-Bromo-2\',5\'-difluoroacetophenone;2-bromo-1-(2,5-difluorophenyl)-ethanone;CS-0450435;FT-0651336;A25674;Propanedioic acid, 2-hexadecyl-, 1,3-diethyl ester;2-Bromo-1-(2,5-difluorophenyl)ethanone, AldrichCPR;2-Bromo-1-(2,5-difluorophenyl)ethanone

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

Chemical Property:

• Melting Point: 37-40 °C
• Boiling Point: 245.8 °C at 760 mmHg
• Flash Point: 102.4 °C
• PSA: 17.07000
• Density: 1.648 g/cm³
• LogP: 2.54240
• Storage Temp.: 2-8°C
• Solubility.: DCM, Methanol
• 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: 174

Purity/Quality:

99% ^*data from raw suppliers

2,5-DifluorophenacylBromide ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)C(=O)CBr)F
• Uses: 2,5-Difluorophenacyl Bromide is an intermediate in the synthesis of Isavuconazole (I777830), an triazole based antifungal agent for the treatment of invasive fungal infections.

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

There total 2 articles about 2-Bromo-1-(2,5-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: 60.0%

2',5'-difluoroacetophenone (1979-36-8) → 2-bromo-1-(2,5-difluorophenyl)ethanone (258513-41-6)

Guidance literature:

With N-Bromosuccinimide; toluene-4-sulfonic acid; In dichloromethane; at 40 ℃; for 0.25h; Microwave irradiation; Green chemistry;

DOI:10.1002/jhet.3950

Reference yield:

→ 2-bromo-1-(2,5-difluorophenyl)ethanone (258513-41-6)

Guidance literature:

Reference yield: 93.0%

Benzophenone imine (1013-88-3) + 2-bromo-1-(2,5-difluorophenyl)ethanone (258513-41-6) → C21H15F2NO

Guidance literature:

2-bromo-1-(2,5-difluorophenyl)ethanone; With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃; for 0.166667h;

Benzophenone imine; In dichloromethane; for 5h; Solvent;

upstream raw materials:

2',5'-difluoroacetophenone

Downstream raw materials:

8-benzoyl-2-(2,5-difluoro-phenyl)-6,7,8,9-tetrahydro-5H-1,3a,5,8-tetraaza-cyclopenta[a]naphthalen-4-one

3-(2,5-difluorophenyl)-3-oxopropanenitrile

C₁₂H₉F₂NO₃

2-(2,5-difluorobenzoyl)-5-methoxybenzofuran

Refernces

• 1、 Lee, Sunkyung,Kim, Taemi,Lee, Byung Ho,Yoo, Sung-eun,Lee, Kyunghee,Yi, Kyu Yang. "3-Substituted-(5-arylfuran-2-ylcarbonyl)guanidines as NHE-1 inhibitors". . p. 1291 - 1295. Retrieved 2008/02/02.
• 2、 -. "Pyrrole derivatives and medicinal composition". . . Retrieved 2008/06/13.