2-(TRIFLUOROMETHYL)BENZOPHENONE Chemical Properties

Melting point:

60-62 °C

Boiling point:

175-178 °C(Press: 31 Torr)

Density 

1.2778 (estimate)

storage temp. 

Sealed in dry,Room Temperature

form 

solid

color 

Off-white

BRN 

2375025

InChI

1S/C14H9F3O/c15-14(16,17)12-9-5-4-8-11(12)13(18)10-6-2-1-3-7-10/h1-9H

InChIKey

JXIWJBWMQXDALU-UHFFFAOYSA-N

SMILES

FC(F)(F)c1ccccc1C(=O)c2ccccc2

CAS DataBase Reference

727-99-1(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

37/39-26-36

WGK Germany 

3

HazardClass 

IRRITANT

HS Code 

2914790090

Storage Class

11 - Combustible Solids

Hazard Classifications

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

MSDS

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2-(TRIFLUOROMETHYL)BENZOPHENONE Usage And Synthesis

Application

2-(trifluoromethyl)benzophenone is an ultraviolet absorber and a pharmaceutical and pesticide chemical intermediate with wide applications in these fields. It can also be used in the synthesis of fluorine-containing polymers. Furthermore, 2-(trifluoromethyl)benzophenone is an important pharmaceutical intermediate.

Chemical Properties

yellow crystal powde

Uses

Assymmetric reduction of 2-(trifluoromethyl)benzophenone by lithium aluminium hydride treated with (S)-(+) or (R)-(−)-2 (2-iso-indolinyl)butan-1-ol has been investigated.

Synthesis Reference(s)

Tetrahedron Letters, 35, p. 1047, 1994 DOI: 10.1016/S0040-4039(00)79962-X

General Description

Assymmetric reduction of 2-(trifluoromethyl)benzophenone by lithium aluminium hydride treated with (S)-(+) or (R)-(?)-2 (2-iso-indolinyl)butan-1-ol has been investigated.

Synthesis

The literature Bull.Soc.Chim.France 1962, 587-93 mentions the preparation of 2-(trifluoromethyl)phenyl ketone by the Grignard reaction using the Grignard reagents m-trifluoromethylphenylmagnesium bromide and m-trifluoromethylbenzonitrile feedstock, but the Grignard reaction is difficult to industrialize.

The raw material 10 g of 2-(trifluoromethyl)benzyl methane, 100 g of solvent chloroform and 0.2 g of catalyst phosphorus pentachloride were mixed, and then 7 g of chlorine gas was passed under 100 w incandescent light, 60 ?? reflux for 20 hours, and the reaction process was tracked by GC and NMR; 

End of the reaction, cooling, adding water, extraction with chloroform, stratification, the oil layer was concentrated to get the intermediate colorless oil 2-(trifluoromethyl)phenyl dichloromethane; 

Intermediate 2-(trifluoromethyl)phenyl dichloromethane, 30 grams of water, 12 grams of acetonitrile and 3 grams of sodium hydroxide were mixed and refluxed for 4 hours, cooled and filtered to obtain the crude product, which was recrystallized with ethanol to obtain 7.8 grams of the target product 2-(trifluoromethyl)phenyl ketone as white crystals.  

Yield of the above two steps by recrystallization was about: 74.5%.

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