| Identification | Back 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 Properties | Back 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 |
| Hazard Information | Back Directory | [Synthesis]
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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