1-(2-(Difluoromethoxy)phenyl)ethanone

Base Information

• Chemical Name: 1-(2-(Difluoromethoxy)phenyl)ethanone
• CAS No.: 127842-55-1
• Molecular Formula: C9H8 F2 O2
• Molecular Weight: 186.158
• Hs Code.: 2914790090
• European Community (EC) Number: 828-265-5
• DSSTox Substance ID: DTXSID00366239
• Nikkaji Number: J3.337.816E
• Wikidata: Q82151371
• Mol file: 127842-55-1.mol

Synonyms:127842-55-1;1-(2-(Difluoromethoxy)phenyl)ethanone;2'-(Difluoromethoxy)acetophenone;1-[2-(difluoromethoxy)phenyl]ethanone;1-[2-(Difluoromethoxy)phenyl]ethan-1-one;2/'-(DIFLUOROMETHOXY)ACETOPHENONE 98;Ethanone, 1-[2-(difluoromethoxy)phenyl]-;SCHEMBL1286684;DTXSID00366239;MFCD00236219;AKOS000115378;1-(2-Difluoromethoxy-phenyl)-ethanone;JS-4112;1-[2-[bis(fluoranyl)methoxy]phenyl]ethanone;CS-0037493;FT-0608775;EN300-01079;A805754;Z55671925

Chemical Property of 1-(2-(Difluoromethoxy)phenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.0851mmHg at 25°C
• Boiling Point: 225.7°Cat760mmHg
• Flash Point: 87.9°C
• PSA: 26.30000
• Density: 1.191g/cm³
• LogP: 2.49060
• Storage Temp.: under inert gas (nitrogen or Argon) at 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

2'-(Difluoromethoxy)acetophenone 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=CC=C1OC(F)F

Technology Process of 1-(2-(Difluoromethoxy)phenyl)ethanone

There total 4 articles about 1-(2-(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: 92.0%

diethyl (bromodifluoromethyl)phosphonate (65094-22-6) + o-hydroxyacetophenone (118-93-4,104809-67-8) → 1-[2-(difluoromethoxy)phenyl]ethan-1-one (127842-55-1)

Guidance literature:

With potassium hydroxide; In water; acetonitrile; at -20 - 20 ℃; for 1.15h;

Reference yield: 72.0%

Chlorodifluoromethane (75-45-6) + o-hydroxyacetophenone (118-93-4,104809-67-8) → 1-[2-(difluoromethoxy)phenyl]ethan-1-one (127842-55-1)

Guidance literature:

With potassium hydroxide; In isopropyl alcohol; for 70h;

Reference yield: 72.0%

diethyl (bromodifluoromethyl)phosphonate (65094-22-6) + o-hydroxyacetophenone (118-93-4,104809-67-8) → 2-(3,3-difluoro-2-methyloxiranyl)phenol (1175701-79-7) + 1-[2-(difluoromethoxy)phenyl]ethan-1-one (127842-55-1)

Guidance literature:

With potassium hydroxide; In water; acetonitrile; at -78 - 20 ℃; for 0.333333h;

DOI:10.1016/j.tet.2009.04.082

upstream raw materials:

Chlorodifluoromethane

o-hydroxyacetophenone

diethyl (bromodifluoromethyl)phosphonate

acetophenone

Downstream raw materials:

N-[1-(2-Difluoromethoxy-phenyl)-ethyl]-formamide

1-(2-Difluoromethoxy-phenyl)-ethylamine; hydrochloride

2-bromo-1-[2-(difluoromethoxy)phenyl]ethan-1-one