ChemicalBook--->CAS DataBase List--->27914-56-3

27914-56-3

27914-56-3 Structure

27914-56-3 Structure
IdentificationBack Directory
[Name]

4-(2,2,2-trifluoroethoxy)benzoic acid
[CAS]

27914-56-3
[Synonyms]

VITAS-BB TBB010266
ART-CHEM-BB B030036
4-(2,2,2-trifluoroethoxy)benzoic acid
Benzoic acid, 4-(2,2,2-trifluoroethoxy)-
4-(2,2,2-Trifluoroethoxy)benzoic acid 95+%
[Molecular Formula]

C9H7F3O3
[MDL Number]

MFCD05669500
[MOL File]

27914-56-3.mol
[Molecular Weight]

220.15
Chemical PropertiesBack Directory
[Boiling point ]

272.0±40.0 °C(Predicted)
[density ]

1.385±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[pka]

4.28±0.10(Predicted)
[Appearance]

White to off-white Solid
Safety DataBack Directory
[HS Code ]

2918999090
Spectrum DetailBack Directory
[Spectrum Detail]

4-(2,2,2-trifluoroethoxy)benzoic acid(27914-56-3)1HNMR
Hazard InformationBack Directory
[Synthesis]

4-(2,2,2-trifluoroethoxy)benzaldehyde

76579-46-9

4-(2,2,2-trifluoroethoxy)benzoic acid

27914-56-3

General procedure for the synthesis of 4-(2,2,2-trifluoroethoxy)benzoic acid from 4-(2,2,2-trifluoroethoxy)benzaldehyde: 4-(2,2,2-trifluoroethoxy)benzoaldehyde (0.6 g, 2.94 mmol) was dissolved in methanol (5 ml), 50% w/v aqueous potassium hydroxide (1.2 ml) was added, and stirred at 65 °C. Subsequently, 30 wt% aqueous hydrogen peroxide solution (2.4 ml) was added dropwise over a period of 20 minutes. After dropwise addition, the reaction mixture was continued to be heated at 65°C for 10 minutes. After completion of the reaction, it was cooled to room temperature, acidified with 1 M hydrochloric acid and then extracted with ether (3 x 30 ml). The organic phases were combined, washed with brine (20 ml) and dried over anhydrous sodium sulfate. The solvent was removed by concentration under reduced pressure to give 4-(2,2,2-trifluoroethoxy)benzoic acid (0.59 g, 91% yield) as a light yellow solid, which could be used for subsequent experiments without further purification.

[References]

[1] Patent: JP5667058, 2015, B2. Location in patent: Paragraph 0481; 0482
[2] Molecular Crystals and Liquid Crystals (1969-1991), 1991, vol. 204, p. 77 - 89
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