ChemicalBook--->CAS DataBase List--->400-36-2

400-36-2

400-36-2 Structure

400-36-2 Structure
IdentificationBack Directory
[Name]

4,4,4-TRIFLUORO-3-OXO-BUTYRIC ACID
[CAS]

400-36-2
[Synonyms]

4,4,4-TRIFLUORO-3-OXO-BUTYRIC ACID
4,4,4-trifluoro-3-oxobutanoic acid
Butanoic acid, 4,4,4-trifluoro-3-oxo-
[Molecular Formula]

C4H3F3O3
[MOL File]

400-36-2.mol
[Molecular Weight]

156.06
Chemical PropertiesBack Directory
[Boiling point ]

189.6±40.0 °C(Predicted)
[density ]

1.519
[storage temp. ]

2-8°C
[pka]

0.83±0.32(Predicted)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Synthesis]

Butanoyl chloride, 4,4,4-trifluoro-3-oxo-

2261-53-2

4,4,4-TRIFLUORO-3-OXO-BUTYRIC ACID

400-36-2

Example 5: Reaction (ReacSO-1) To a 1,2-dichloroethane solution (758 g) of crude 4,4,4-trifluoro-3-oxobutanoyl chloride (ca. 1.29 mol) was added slowly and dropwise over a period of 2 hr. to a dioxane solution (214 g) containing 1.29 mol of water (23.3 g), at -40°C to -20°C. Upon completion of the reaction, the concentration of the enolized form of compound (II-II) in the resulting solution (981 g) was determined to be 19 wt% by 1H NMR analysis (with cyclobutanesulfone as the internal standard), which corresponded to a yield of 92%.

[References]

[1] Patent: WO2015/4035, 2015, A1. Location in patent: Page/Page column 15
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