2,2,2-TRIFLUORO-3'-(TRIFLUOROMETHYL)ACETOPHENONE

Base Information

• Chemical Name: 2,2,2-TRIFLUORO-3'-(TRIFLUOROMETHYL)ACETOPHENONE
• CAS No.: 721-37-9
• Molecular Formula: C9H4F6O
• Molecular Weight: 242.121
• Hs Code.: 2914700090
• Mol file: 721-37-9.mol

Synonyms:3-Trifluoromethyltrifluoroacetophenone;2,2,2-TRIFLUORO-1-(3-TRIFLUOROMETHYLPHENYL)ETHANONE;2,2,2-TRIFLUORO-3-(TRIFLUOROMETHYL)ACETOPHENONE;ALPHA,ALPHA,ALPHA-TRIFLUORO-3-(TRIFLUOROMETHYL)ACETOPHENONE;3-TRIFLUOROMETHYL-A,A,A-TRIFLUOROACETOPHENONE;3-Trifluoromethyl-alpha,alpha,alpha-trifluoroacetophenone;2,2,2-Trifluoro-3-(trifluoromethyl)acetophenone 98%;2,2,2-Trifluoro-3-(trifluoromethyl)acetophenone98%

Chemical Property of 2,2,2-TRIFLUORO-3'-(TRIFLUOROMETHYL)ACETOPHENONE

Chemical Property:

• Vapor Pressure: 2.37mmHg at 25°C
• Melting Point: 76-77 °C
• Refractive Index: n20/D 1.415(lit.)
• Boiling Point: 160.6 °C at 760 mmHg
• Flash Point: 59.4 °C
• PSA: 17.07000
• Density: 1.417 g/cm³
• LogP: 3.45040
• Storage Temp.: 2-8°C

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,2,2-Trifluoro-3''-(trifluoromethyl)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:

Technology Process of 2,2,2-TRIFLUORO-3'-(TRIFLUOROMETHYL)ACETOPHENONE

There total 7 articles about 2,2,2-TRIFLUORO-3'-(TRIFLUOROMETHYL)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: 63.0%

trimethyl(2,2,2-trifluoro-1-methoxy-1-(3-(trifluoromethyl)phenyl)ethoxy)silane → 2,2,2-trifluoro-3'-(trifluoromethyl)acetophenone (721-37-9)

Guidance literature:

With hydrogenchloride; In methanol; water; at 60 ℃; for 2h;

Reference yield:

3-(trifluoromethyl)phenylmagnesium bromide (402-26-6) + trifluoroacetic acid (76-05-1) → 2,2,2-trifluoro-3'-(trifluoromethyl)acetophenone (721-37-9)

Guidance literature:

With diethyl ether;

DOI:10.1021/jo01359a613

Reference yield:

phenyl trifluoroacetate (500-73-2) + (meta-(trifluoromethyl)phenyl)boronic acid (1423-26-3) → 2,2,2-trifluoro-3'-(trifluoromethyl)acetophenone (721-37-9)

Guidance literature:

tributylphosphine; palladium diacetate; In 1-methyl-pyrrolidin-2-one; at 80 ℃; for 4h;

DOI:10.1246/bcsj.74.371

upstream raw materials:

3-(trifluoromethyl)phenylmagnesium bromide

trifluoroacetic acid

3-bromo-1-trifluoromethylbenzene

N,N-diethyl-2,2,2-trifluoroacetamide

Downstream raw materials:

1-(3-trifluoromethylphenyl)-1-(trifluoromethyl)ethanol

2-<3-(Trifluoromethyl)phenyl>-3,3,3-trifluoropropene

1-chloro-1-(3-trifluoromethylphenyl)-2,2,2-trifluoroethane

2,2,2-trifluoro-1-(3-methyl-4-methylaminophenyl)-1-(3-trifluoromethyl-phenyl)-ethanol

Refernces

• 1、 Kakino,Shimizu,Yamamoto. "Synthesis of trifluoromethyl ketones by palladium-catalyzed cross-coupling reaction of phenyl trifluoroacetate with organoboron compounds". . p. 371 - 376. Retrieved 2007/10/03.
• 2、 Dneprovskii, A. S.,Eliseenkov, E. V.,Mil'tsov, S. A.. "MECHANISMS OF FREE-RADICAL REACTIONS. XIII. MECHANISM AND SELECTIVITY OF THE FREE-RADICAL HALOGENATION OF ALKYL AROMATIC HYDROCARBONS WITH FLUOROALKYL SUBSTITUENTS". . p. 317 - 324. Retrieved 2007/10/02.