ChemicalBook--->CAS DataBase List--->79427-88-6

79427-88-6

79427-88-6 Structure

79427-88-6 Structure
IdentificationBack Directory
[Name]

2-Hydroxy-5-Trifluoromethyl Benzoic Acid
[CAS]

79427-88-6
[Synonyms]

UKRORGSYN-BB BBV-264038
5-Trifluoromethyl-2-hydroxybenzoic acid
2-Hydroxy-5-Trifluoromethyl Benzoic Acid
Benzoic acid, 2-hydroxy-5-(trifluoromethyl)-
2-Hydroxy-5-Trifluoromethyl Benzoic Acid ISO 9001:2015 REACH
2-Carboxy-4-(trifluoromethyl)phenol, 3-Carboxy-4-hydroxybenzotrifluoride, 5-(Trifluoromethyl)salicylic acid
[Molecular Formula]

C8H5F3O3
[MDL Number]

MFCD07787570
[MOL File]

79427-88-6.mol
[Molecular Weight]

206.119
Chemical PropertiesBack Directory
[Boiling point ]

292.8±40.0 °C(Predicted)
[density ]

1.539±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

solid
[pka]

2.55±0.10(Predicted)
[color ]

White
[InChI]

InChI=1S/C8H5F3O3/c9-8(10,11)4-1-2-6(12)5(3-4)7(13)14/h1-3,12H,(H,13,14)
[InChIKey]

YQDOJQUHDQGQPH-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=CC(C(F)(F)F)=CC=C1O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P271-P280
[HS Code ]

2918290090
Hazard InformationBack Directory
[Uses]

2-Hydroxy-5-(trifluoromethyl)benzoic acid
[Synthesis]

3-(Trifluoromethyl)benzoic acid

454-92-2

2-Hydroxy-5-Trifluoromethyl Benzoic Acid

79427-88-6

General procedure for the synthesis of 2-hydroxy-5-trifluoromethylbenzoic acid from 3-trifluoromethylbenzoic acid: III. General method for Pd(II)-catalyzed tert-butyl-hydroxylation reaction 02: To a 50 mL high-pressure reactor equipped with a magnetic stir bar was added Pd(OAc)2 (11.2 mg, 0.05 mmol) followed by 3-trifluoromethylbenzoic acid (0.5 mmol), benzoquinone (54.0 mg, 0.5 mmol), KOAc (98.0 mg, 1 mmol), and N,N-dimethylacetamide (1.5 mL). The reaction vessel was filled with O2 (20 atm), then evacuated and filled again with O2 (5 atm, repeated twice). The reaction mixture was stirred at 115 °C for 15 h and then cooled to room temperature. After completion of the reaction, the crude product was purified according to the previous post-treatment of hydroxylation reaction under 1 atm O2 conditions.

[References]

[1] Journal of the American Chemical Society, 2009, vol. 131, # 41, p. 14654 - 14655
[2] Patent: WO2011/37929, 2011, A2. Location in patent: Page/Page column 14; 19-20
[3] Synlett, 2016, vol. 27, # 2, p. 277 - 281
Spectrum DetailBack Directory
[Spectrum Detail]

2-Hydroxy-5-Trifluoromethyl Benzoic Acid(79427-88-6)1HNMR
2-Hydroxy-5-Trifluoromethyl Benzoic Acid(79427-88-6)FT-IR
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