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

Base Information

• Chemical Name: 2,2-Difluoro-1-(4-methoxyphenyl)ethanone
• CAS No.: 114829-07-1
• Molecular Formula: C9H8 F2 O2
• Molecular Weight: 186.158
• DSSTox Substance ID: DTXSID30469106
• Nikkaji Number: J1.772.070H
• Wikidata: Q82296683
• Mol file: 114829-07-1.mol

Synonyms:2,2-difluoro-1-(4-methoxyphenyl)ethanone;114829-07-1;2,2-difluoro-1-(4-methoxyphenyl)ethan-1-one;Ethanone, 2,2-difluoro-1-(4-methoxyphenyl)- (9CI);2,2-Difluoro-1-(4-methoxy-phenyl)-ethanone;2,2-DIFLUORO-1-(4-METHOXYPHENYL)-ETHANONE;SCHEMBL8860052;DTXSID30469106;MEHGSTAWEFSOKW-UHFFFAOYSA-N;EN300-328749

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

Chemical Property:

• Melting Point: 39-40 °C
• Boiling Point: 134-135 °C(Press: 25 Torr)
• PSA: 26.30000
• Density: 1.191±0.06 g/cm3(Predicted)
• LogP: 2.14300
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 186.04923582
• Heavy Atom Count: 13
• Complexity: 175

Purity/Quality:

99% ^*data from raw suppliers

2,2-difluoro-1-(4-methoxyphenyl)ethanone 95%-98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)C(F)F

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

There total 34 articles about 2,2-Difluoro-1-(4-methoxyphenyl)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: 96.0%

trimethyl(difluoromethyl)silane (65864-64-4) + 4,N-dimethoxy-N-methylbenzamide (52898-49-4) → ω,ω-Difluoro-4-methoxyacetophenone (114829-07-1)

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: 88.0%

4'-methoxy-2,2,2-trifluoroacetophenone (711-38-6) → ω,ω-Difluoro-4-methoxyacetophenone (114829-07-1)

Guidance literature:

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

DOI:10.1039/d1sc01574e

Reference yield: 85.0%

2,2-difluoro-1-(4-methoxyphenyl)ethan-1-ol (130728-23-3) → ω,ω-Difluoro-4-methoxyacetophenone (114829-07-1)

Guidance literature:

With potassium hydrogensulfate; sodium hypochlorite pentahydrate; In acetonitrile; at 0 ℃; for 5h; Reagent/catalyst;

DOI:10.1016/j.jfluchem.2020.109719

upstream raw materials:

difluoroacetyl chloride

methoxybenzene

Butyl-[1-(4-methoxy-phenyl)-eth-(E)-ylidene]-amine

1-(4-morpholinyl)-1-(4-methoxyphenyl)-ethene

Downstream raw materials:

4-[2,2-Difluoro-1-(4-methoxy-phenyl)-eth-(Z)-ylidene]-2-phenyl-4H-oxazol-5-one

2,2-difluoro-1,2-bis(4-methoxyphenyl)ethan-1-one

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