2,2,2-Trifluoro-1-(4-(trifluoromethyl)phenyl)ethanone

Base Information

• Chemical Name: 2,2,2-Trifluoro-1-(4-(trifluoromethyl)phenyl)ethanone
• CAS No.: 74853-66-0
• Molecular Formula: C9H4F6O
• Molecular Weight: 242.121
• Hs Code.: 29147000
• European Community (EC) Number: 633-299-7
• DSSTox Substance ID: DTXSID20225819
• Nikkaji Number: J267.437H
• Wikidata: Q83104980
• Mol file: 74853-66-0.mol

Synonyms:74853-66-0;2,2,2-Trifluoro-1-(4-(trifluoromethyl)phenyl)ethanone;4-(Trifluoromethyl)-alpha,alpha,alpha-trifluoroacetophenone;2,2,2-Trifluoro-1-[4-(trifluoromethyl)phenyl]ethanone;2,2,2-Trifluoro-4'-(trifluoromethyl)acetophenone;2,2,2-trifluoro-1-(4-(trifluoromethyl)phenyl)ethan-1-one;2,2,2-Trifluoro-1-(4-trifluoromethylphenyl)ethanone;MFCD00061276;Ethanone, 2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]-;2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethan-1-one;4-Trifluoromethyl-.alpha.,.alpha.,.alpha.-trifluoroacetophenone;SCHEMBL1078685;DTXSID20225819;AMY19073;4-Trifluoroacetyltrifluoromethylbenzene;AKOS005259710;PS-11192;CS-0145666;FT-0609031;D94872;4-(Trifluoromethyl)-A,A,A-trifluoroacetophenone;A838243;2,2,2-Trifluoro-1-(4-trifluoromethyl-phenyl)-ethanone;2,2,2-Trifluoro-4'-(trifluoromethyl)acetophenone, 97%;4-Trifluoromethyl-alpha,alpha,alpha-trifluoroacetophenone;2,2,2-Trifluoro-1-[4-(trifluoromethyl)phenyl]ethanone #;4'-(Trifluoromethyl)-alpha,alpha,alpha-trifluoroacetophenone;4'-Trifluoromethyl-alpha,alpha,alpha-trifluoroacetophenone

Chemical Property of 2,2,2-Trifluoro-1-(4-(trifluoromethyl)phenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.385mmHg at 25°C
• Refractive Index: 1.415
• Boiling Point: 197.1 °C at 760 mmHg
• Flash Point: 73 °C
• PSA: 17.07000
• Density: 1.417 g/cm³
• LogP: 3.45040
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 242.01663372
• Heavy Atom Count: 16
• Complexity: 258

Purity/Quality:

97% ^*data from raw suppliers

2,2,2-Trifluoro-4'-(trifluoromethyl)acetophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)C(F)(F)F)C(F)(F)F
• Uses: 2,2,2-Trifluoro-1-(4-(trifluoromethyl)phenyl)ethanone can be used in the synthesis of tetrahydropyranones through catalytic enantioselective oxa-?hetero-?Diels-?Alder reactions of enones with aryl trifluoromethyl ketones.

Technology Process of 2,2,2-Trifluoro-1-(4-(trifluoromethyl)phenyl)ethanone

There total 8 articles about 2,2,2-Trifluoro-1-(4-(trifluoromethyl)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: 88.0%

((2,2-difluoro-1-(4-(trifluoromethyl)phenyl)vinyl)oxy)trimethylsilane (243845-55-8) → 4'-trifluoromethyl-2,2,2-trifluoroacetophenone (74853-66-0)

Guidance literature:

With Selectfluor; In dichloromethane; acetonitrile; at -78 - 0 ℃;

DOI:10.1016/S0022-1139(03)00039-3

Reference yield: 72.0%

ethyl trifluoroacetate, (383-63-1) + 4-(trifluoromethyl)phenylmagnesium bromide (402-51-7) → 4'-trifluoromethyl-2,2,2-trifluoroacetophenone (74853-66-0)

Guidance literature:

In diethyl ether; at -78 - 20 ℃;

DOI:10.1021/jo00231a036

Reference yield: 44.0%

2,2,2-trifluoro-1-(4-(trifluoromethyl)phenyl)ethan-1-ol (150698-81-0) → C9H6F6O2 (158098-74-9) + 4'-trifluoromethyl-2,2,2-trifluoroacetophenone (74853-66-0)

Guidance literature:

With oxone; potassium 2-iodo-5-methylbenzenesulfonate; In acetonitrile; at 90 ℃; for 18h;

DOI:10.1016/j.jfluchem.2012.03.002

upstream raw materials:

ethyl trifluoroacetate,

4-(trifluoromethyl)phenylmagnesium bromide

trifluoroacetic acid

trifluoroacetic anhydride

Downstream raw materials:

1,1,1-trifluoro-2-(4-(trifluoromethyl)phenyl)propan-2-ol

2,5-bis(trifluoromethyl)-2-(p-trifluoromethylphenyl)-6-phenyl-4H-1,3-dioxine