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18931-64-1

18931-64-1 Structure

18931-64-1 Structure
IdentificationBack Directory
[Name]

1,1,1-TRIFLUORO-6-PHENYLHEX-5-(E)-ENE-2,4-DIONE
[CAS]

18931-64-1
[Synonyms]

1,1,1-Trifluoro-6-phenylhex-5-ene-2,4-dione
5-Hexene-2,4-dione, 1,1,1-trifluoro-6-phenyl-
1,1,1-TRIFLUORO-6-PHENYLHEX-5-(E)-ENE-2,4-DIONE
(E)-1,1,1-trifluoro-6-phenylhex-5-ene-2,4-dione
[Molecular Formula]

C12H9F3O2
[MDL Number]

MFCD00760722
[MOL File]

18931-64-1.mol
[Molecular Weight]

242.19
Chemical PropertiesBack Directory
[Boiling point ]

306.9±42.0 °C(Predicted)
[density ]

1.270±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[pka]

6.44±0.10(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

1,1,1-TRIFLUORO-6-PHENYLHEX-5-(E)-ENE-2,4-DIONE(18931-64-1)MS
1,1,1-TRIFLUORO-6-PHENYLHEX-5-(E)-ENE-2,4-DIONE(18931-64-1)IR1
1,1,1-TRIFLUORO-6-PHENYLHEX-5-(E)-ENE-2,4-DIONE(18931-64-1)IR2
Hazard InformationBack Directory
[Synthesis]

Ethyl trifluoroacetate

383-63-1

trans-4-Phenyl-3-buten-2-one

1896-62-4

1,1,1-TRIFLUORO-6-PHENYLHEX-5-(E)-ENE-2,4-DIONE

18931-64-1

Example 4: Synthesis of 1-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]-5-styryl-3-trifluoromethyl-1H-pyrazole 1,1,1-trifluoro-6-phenylhex-5-ene-2,4-dione. To ethyl trifluoroacetate (1.63 mL, 13.68 mmol) was slowly added sodium hydride (547 mg, 60% dispersed in mineral oil, 13.68 mmol). (Note: caution is required, as the addition of sodium hydride to ethyl trifluoroacetate may cause combustion.) Subsequently, trans-4-phenyl-3-buten-2-one (1 g, 6.84 mmol) was added and the reaction mixture was stirred at 40°C for 3 minutes. After completion of the reaction, it was cooled to room temperature, the reaction was quenched with water and diluted with 1N HCl. The mixture was extracted with ethyl acetate and the organic phase was dried over anhydrous magnesium sulfate and concentrated. The reaction was assumed to be quantitative.LC-MS analysis (C12H9F3O2, calculated value 242) showed m/z 243 (M+H).

[References]

[1] Patent: US2007/197526, 2007, A1. Location in patent: Page/Page column 10
[2] Russian Chemical Bulletin, 1996, vol. 45, # 9, p. 2169 - 2171
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