2'-(Trifluoromethoxy)acetophenone

Base Information

• Chemical Name: 2'-(Trifluoromethoxy)acetophenone
• CAS No.: 220227-93-0
• Molecular Formula: C9H7F3O2
• Molecular Weight: 204.149
• Hs Code.: 29147000
• European Community (EC) Number: 642-468-4
• DSSTox Substance ID: DTXSID30380403
• Wikidata: Q72511225
• Mol file: 220227-93-0.mol

Synonyms:2'-(Trifluoromethoxy)acetophenone;220227-93-0;1-(2-(Trifluoromethoxy)phenyl)ethanone;1-[2-(trifluoromethoxy)phenyl]ethanone;1-[2-(trifluoromethoxy)phenyl]ethan-1-one;MFCD00236320;1-(2-(Trifluoromethoxy)phenyl)ethan-1-one;5-cyano-oxindole;SCHEMBL1286691;DTXSID30380403;1-(2-Trifluoromethoxyphenyl)ethanone;CK1156;AKOS009158278;PS-8142;SY016251;CS-0020116;FT-0644021;T2794;EN300-69570;A19721;2 inverted exclamation mark -(Trifluoromethoxy)acetophenone;2-(Trifluoromethoxy)acetophenone98

Chemical Property of 2'-(Trifluoromethoxy)acetophenone

Chemical Property:

• Vapor Pressure: 0.509mmHg at 25°C
• Refractive Index: 1.45
• Boiling Point: 191.7 °C at 760 mmHg
• Flash Point: 68.2 °C
• PSA: 26.30000
• Density: 1.265 g/cm³
• LogP: 2.78780
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 204.03981395
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

98% ^*data from raw suppliers

2-(Trifluoromethoxy)acetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=CC=C1OC(F)(F)F
• Uses: 2-(Trifluoromethoxy)acetophenone is used in preparation of redox-active reagents for the ruthenium-catalyzed Difluoromethoxylation and Trifluoromethoxylation of arenes and heteroarenes under visible light.

Technology Process of 2'-(Trifluoromethoxy)acetophenone

There total 4 articles about 2'-(Trifluoromethoxy)acetophenone 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:

3-methyl-4-nitro-1-(trifluoromethoxy)-6-(trifluoromethyl)-1H-benzo[d][1,2,3]triazol-3-ium trifluoromethanesulfonate + acetophenone (98-86-2) → 1-(2-(trifluoromethoxy)phenyl)ethan-1-one (220227-93-0) + 1-[4-(trifluoromethoxy)phenyl]ethan-1-one (85013-98-5) + 1-(3-trifluoromethoxy-phenyl)ethanone (170141-63-6)

Guidance literature:

With tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; In acetonitrile; at 20 ℃; for 16h; Overall yield = 73 %Spectr.; regioselective reaction; Sealed tube; Irradiation;

DOI:10.1002/anie.201808495

Reference yield:

2-(3,5-bis(trifluoromethyl)phenyl)-4-nitro-1-(trifluoromethoxy)-6-(trifluoromethyl)-1H-benzo[d]imidazole + acetophenone (98-86-2) → 1-(2-(trifluoromethoxy)phenyl)ethan-1-one (220227-93-0) + 1-[4-(trifluoromethoxy)phenyl]ethan-1-one (85013-98-5) + 1-(3-trifluoromethoxy-phenyl)ethanone (170141-63-6)

Guidance literature:

With tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; In acetonitrile; at 23 ℃; for 16h; Overall yield = 62 %Spectr.; regioselective reaction; Sealed tube; Irradiation;

DOI:10.1002/anie.201800598

Reference yield:

4-cyano-1- (trifluoromethoxy)pyridin-1-ium bis((trifluoromethyl)sulfonyl)amide + acetophenone (98-86-2) → 1-(2-(trifluoromethoxy)phenyl)ethan-1-one (220227-93-0) + 1-[4-(trifluoromethoxy)phenyl]ethan-1-one (85013-98-5) + 1-(3-trifluoromethoxy-phenyl)ethanone (170141-63-6)

Guidance literature:

With tris(2,2-bipyridine)ruthenium(II) hexafluorophosphate; In acetonitrile; at 20 ℃; for 1h; Overall yield = 45 %Spectr.; Sealed tube; Inert atmosphere; Irradiation;

DOI:10.1002/anie.201806296

upstream raw materials:

acetophenone

bis(trifluoromethyl)peroxide