1-[4-(Difluoromethoxy)phenyl]ethan-1-one

Base Information

• Chemical Name: 1-[4-(Difluoromethoxy)phenyl]ethan-1-one
• CAS No.: 83882-67-1
• Molecular Formula: C9H8F2O2
• Molecular Weight: 186.158
• Hs Code.: 2914700090
• European Community (EC) Number: 281-174-7
• DSSTox Substance ID: DTXSID50232778
• Nikkaji Number: J332.830I
• Wikidata: Q72463356
• Mol file: 83882-67-1.mol

Synonyms:83882-67-1;4-(Difluoromethoxy)acetophenone;4'-(difluoromethoxy)acetophenone;1-(4-(difluoromethoxy)phenyl)ethanone;1-[4-(difluoromethoxy)phenyl]ethanone;1-[4-(difluoromethoxy)phenyl]ethan-1-one;1-(4-Difluoromethoxy-phenyl)-ethanone;1-(4-(Difluoromethoxy)phenyl)ethan-1-one;C9H8F2O2;1-(4-DIFLUOROMETHOXY)PHENYL)ETHANONE;EINECS 281-174-7;4'-Difluoromethoxyacetophenone;Ethanone, 1-[4-(difluoromethoxy)phenyl]-;MFCD00042250;SCHEMBL1906677;4`-(Difluoromethoxy)acetophenone;DTXSID50232778;C9-H8-F2-O2;BBL038144;STK299917;AKOS000268203;CS-W016916;FS-1980;SY050690;AM20060843;D4760;FT-0600563;EN300-01080;Z55671900;4 inverted exclamation mark -(Difluoromethoxy)acetophenone

Chemical Property of 1-[4-(Difluoromethoxy)phenyl]ethan-1-one

Chemical Property:

• Vapor Pressure: 1630mmHg at 25°C
• Melting Point: 18-19 °C
• Refractive Index: 1.249
• Boiling Point: 252.1 °C at 760 mmHg
• Flash Point: 103.2 °C
• PSA: 26.30000
• Density: 1.191 g/cm³
• LogP: 2.49060
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.7
• 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

4-(Difluoromethoxy)acetophenone ^*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=C(C=C1)OC(F)F

Technology Process of 1-[4-(Difluoromethoxy)phenyl]ethan-1-one

There total 11 articles about 1-[4-(Difluoromethoxy)phenyl]ethan-1-one 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: 88.0%

bromodifluoroacetic acid (354-08-5) + 4-Hydroxyacetophenone (99-93-4) → 4-difluoromethoxy-acetophenone (83882-67-1)

Guidance literature:

With tris[2-phenylpyridinato-C₂,N]iridium(III); caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 9h; Inert atmosphere; Schlenk technique; Irradiation;

DOI:10.1021/acs.orglett.7b01118

Reference yield: 85.0%

[bromo(difluoro)methyl]-trimethyl-silane (115262-01-6) + 4-Hydroxyacetophenone (99-93-4) → 4-difluoromethoxy-acetophenone (83882-67-1)

Guidance literature:

With potassium hydroxide; In dichloromethane; water; at 0 ℃; for 0.5h;

DOI:10.1002/anie.201306703

Reference yield: 51.0%

sodium chlorodifluoroacetate (1895-39-2) + 4-Hydroxyacetophenone (99-93-4) → 4-difluoromethoxy-acetophenone (83882-67-1)

Guidance literature:

With sodium hydroxide; In N,N-dimethyl-formamide; at 100 ℃; for 14h;

upstream raw materials:

Chlorodifluoromethane

4-Hydroxyacetophenone

diethyl ether

[bromo(difluoro)methyl]-trimethyl-silane

Downstream raw materials:

1-(4-difluoromethoxyphenyl)-2-bromoethan-1-one

dl-α-methyl-4-difluoromethoxybenzylamine

1-(4-difluoromethoxy-phenyl)-ethanone oxime

dl-5-Chloro-6-methyl-4-(α-methyl-4-difluoromethoxybenzyl-amino)pyrimidine

Refernces

• 1、 Lee, Johnny W.,Zheng, Weijia,Morales-Rivera, Cristian A.,Liu, Peng,Ngai, Ming-Yu. "Catalytic radical difluoromethoxylation of arenes and heteroarenes". . p. 3217 - 3222. Retrieved 2019/03/21.
• 2、 Yao, Qiuli,Liu, Wenbo,Liu, Peng,Ren, Linjing,Fang, Xuehong,Li, Chao-Jun. "Metal-Free Photoinduced Transformation of Aryl Halides and Diketones into Aryl Ketones". supporting information. p. 2721 - 2724. Retrieved 2019/01/14.