1-[3-(Difluoromethoxy)phenyl]ethanone

Base Information

• Chemical Name: 1-[3-(Difluoromethoxy)phenyl]ethanone
• CAS No.: 101975-23-9
• Molecular Formula: C9H8 F2 O2
• Molecular Weight: 186.158
• Hs Code.: 2914700090
• European Community (EC) Number: 870-290-9
• DSSTox Substance ID: DTXSID70378884
• Nikkaji Number: J3.173.337E
• Wikidata: Q82168469
• Mol file: 101975-23-9.mol

Synonyms:101975-23-9;1-[3-(difluoromethoxy)phenyl]ethanone;3'-(difluoromethoxy)acetophenone;1-(3-(Difluoromethoxy)phenyl)ethanone;1-(3-(DIFLUOROMETHOXY)PHENYL)ETHAN-1-ONE;1-[3-(Difluoromethoxy)phenyl]ethan-1-one;Ethanone, 1-[3-(difluoromethoxy)phenyl]-;1-(3-Difluoromethoxy-phenyl)-ethanone;SCHEMBL2277217;DTXSID70378884;BBL038966;MFCD00236220;STK312794;1-(3-(difluoro)methoxyphenyl)ethanone;AKOS000305810;FS-1975;SB85451;CS-0042578;FT-0678579;EN300-07581;A896990;Z55672056

Chemical Property of 1-[3-(Difluoromethoxy)phenyl]ethanone

Chemical Property:

• Boiling Point: 223.8±30.0 °C(Predicted)
• Flash Point: 86.8oC
• PSA: 26.30000
• Density: 1.191±0.06 g/cm3(Predicted)
• LogP: 2.49060
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 186.04923582
• Heavy Atom Count: 13
• Complexity: 183

Purity/Quality:

97% ^*data from raw suppliers

3''-(Difluoromethoxy)acetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC(=CC=C1)OC(F)F
• Uses: 3''-(Difluoromethoxy)acetophenone

Technology Process of 1-[3-(Difluoromethoxy)phenyl]ethanone

There total 6 articles about 1-[3-(Difluoromethoxy)phenyl]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: 82.0%

3-Hydroxyacetophenone (121-71-1) + α,α,α-iodinefluoroacetophenone (150542-06-6) → 1-(3-(difluoromethoxy)phenyl)ethan-1-one (101975-23-9)

Guidance literature:

With water; sodium hydroxide; In acetonitrile; at 20 ℃; for 0.166667h;

DOI:10.1016/j.tet.2020.131762

Reference yield: 71.0%

trifluoromethanesulfonic acid difluoromethyl ether (1885-46-7) + 1-(3-Bromophenyl)ethanone (2142-63-4) → 1-(3-(difluoromethoxy)phenyl)ethan-1-one (101975-23-9)

Guidance literature:

1-(3-Bromophenyl)ethanone; With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; potassium hydroxide; tert-butyl XPhos; In 1,4-dioxane; water; at 100 ℃; Inert atmosphere;

trifluoromethanesulfonic acid difluoromethyl ether; With potassium hydroxide; In 1,4-dioxane; water; acetonitrile; at 20 ℃; for 0.0333333h;

Reference yield: 46.0%

trifluoromethanesulfonic acid difluoromethyl ether (1885-46-7) + 3-acetylphenylboronic acid → 1-(3-(difluoromethoxy)phenyl)ethan-1-one (101975-23-9)

Guidance literature:

3-acetylphenylboronic acid; With dihydrogen peroxide; In water; acetonitrile; at 20 ℃; for 0.25h;

trifluoromethanesulfonic acid difluoromethyl ether; With potassium hydroxide; In water; acetonitrile; at 20 ℃; for 0.0333333h;

upstream raw materials:

Chlorodifluoromethane

3-Hydroxyacetophenone

trifluoromethanesulfonic acid difluoromethyl ether

1-(3-Bromophenyl)ethanone

Downstream raw materials:

2-bromo-1-(3-difluoromethoxy-phenyl)ethanone

1-(3-difluoromethoxy-phenyl)-ethylamine