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| | 2-Hydroxy-5-Trifluoromethyl Benzoic Acid Basic information |
| Product Name: | 2-Hydroxy-5-Trifluoromethyl Benzoic Acid | | Synonyms: | 2-Hydroxy-5-Trifluoromethyl Benzoic Acid;UKRORGSYN-BB BBV-264038;2-Carboxy-4-(trifluoromethyl)phenol, 3-Carboxy-4-hydroxybenzotrifluoride, 5-(Trifluoromethyl)salicylic acid;5-Trifluoromethyl-2-hydroxybenzoic acid;Benzoic acid, 2-hydroxy-5-(trifluoromethyl)-;2-Hydroxy-5-Trifluoromethyl Benzoic Acid ISO 9001：2015 REACH | | CAS: | 79427-88-6 | | MF: | C8H5F3O3 | | MW: | 206.12 | | EINECS: | | | Product Categories: | | | Mol File: | 79427-88-6.mol |  |
| | 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 |
| | 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 Preparation Products And Raw materials |
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