2,2-Difluoro-1-(4-fluorophenyl)ethanone

Base Information

• Chemical Name: 2,2-Difluoro-1-(4-fluorophenyl)ethanone
• CAS No.: 50562-06-6
• Molecular Formula: C8H5F3O
• Molecular Weight: 174.122
• Hs Code.: 2914390090
• DSSTox Substance ID: DTXSID701281395
• Mol file: 50562-06-6.mol

Synonyms:2,2-Difluoro-1-(4-fluorophenyl)ethanone;50562-06-6;2,2-Difluoro-1-(4-fluorophenyl)ethan-1-one;Ethanone, 2,2-difluoro-1-(4-fluorophenyl)- (9CI);IZMKCCNNTVCJGI-UHFFFAOYSA-N;DTXSID701281395;MFCD16618056;AKOS026736355;SB85693;DB-276375;2,2-Difluoro-1-(4-fluoro-phenyl)-ethanone;CS-0209647;EN300-244322;F83038;ETHANONE, 2,2-DIFLUORO-1-(4-FLUOROPHENYL)-

Chemical Property of 2,2-Difluoro-1-(4-fluorophenyl)ethanone

Chemical Property:

• Boiling Point: 62 - 64 °C (13 mmHg)
• PSA: 17.07000
• LogP: 2.27350
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 174.02924926
• Heavy Atom Count: 12
• Complexity: 162

Purity/Quality:

99%+ ^*data from raw suppliers

2,2-Difluoro-1-(4-fluoro-phenyl)-ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C(F)F)F

Technology Process of 2,2-Difluoro-1-(4-fluorophenyl)ethanone

There total 8 articles about 2,2-Difluoro-1-(4-fluorophenyl)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: 90.0%

trimethyl(difluoromethyl)silane (65864-64-4) + 4-fluoro-N-methoxy-N-methylbenzamide (116332-54-8) → 2,2-difluoro-1-(4-fluorophenyl)ethan-1-one (50562-06-6)

Guidance literature:

With potassium 2-methylbutan-2-olate; In tetrahydrofuran; cyclohexane; at 0 ℃; for 4h; chemoselective reaction; Inert atmosphere;

DOI:10.1021/acs.orglett.9b03024

Reference yield: 78.0%

2,2,2-trifluoro-1-(4-fluorophenyl)ethanone (655-32-3) → 2,2-difluoro-1-(4-fluorophenyl)ethan-1-one (50562-06-6)

Guidance literature:

With chloro-trimethyl-silane; tetrabutylammomium bromide; tetraethylammonium hexafluorophosphate; In acetonitrile; at 20 ℃; Electrochemical reaction;

DOI:10.1039/d1sc01574e

Reference yield: 74.0%

1-(4-fluorophenyl)ethanone (403-42-9) → 2-fluoro-1-(4-fluorophenyl)ethanone (369-41-5) + 2,2-difluoro-1-(4-fluorophenyl)ethan-1-one (50562-06-6)

Guidance literature:

1-(4-fluorophenyl)ethanone; With methanol; Selectfluor; for 1h; Microwave irradiation;

With water; for 0.333333h; Microwave irradiation;

DOI:10.1016/j.tet.2009.09.070

upstream raw materials:

ethyl 2,2-difluoro-3-(4-fluorophenyl)-3-oxopropanoate

methanol

1-(4-fluorophenyl)ethanone

3-(4-fluorophenyl)-3-oxopropanoic acid