2-Hydroxy-5-Trifluoromethyl Benzoic Acid Chemical Properties

Boiling point:

292.8±40.0 °C(Predicted)

Density 

1.539±0.06 g/cm3(Predicted)

storage temp. 

Inert atmosphere,Room Temperature

pka

2.55±0.10(Predicted)

form 

solid

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 Information

HS Code 

2918290090

2-Hydroxy-5-Trifluoromethyl Benzoic Acid Usage And Synthesis

Uses

2-Hydroxy-5-(trifluoromethyl)benzoic acid

Synthesis

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

2-Hydroxy-5-Trifluoromethyl Benzoic Acid(79427-88-6)Related Product Information

• 3-cyano-2-methoxybenzoic acid
• Benzoic acid, 3-chloro-2-(trifluoromethyl)-
• 3,5-Dichloro-4-Methylbenzoyl chloride
• 2-Cyano-3-fluorobenzoic acid
• Benzoic acid, 3-broMo-2,6-diMethyl-
• 2-Chloro-6-(trifluoromethyl)be
• 3-FLUORO-2-HYDROXYBENZOIC ACID
• 4-Hydrazinylbenzoic acid
• Methyl salicylate
• Dihydroxybenzoic acid
• 4-Hydroxybenzoic acid
• 2-Hydroxy-5-Trifluoromethyl Benzoic Acid
• 2-Methoxy-5-(trifluoromethyl)benzoic acid
• RARECHEM AL BI 1430
• RARECHEM AL BI 1427
• RARECHEM AL BF 1427
• BUTTPARK 87\03-66
• RARECHEM AL BE 1427