ChemicalBook CAS DataBase List 2,4,6-Trifluorobenzoic acid

2,4,6-Trifluorobenzoic acid synthesis

8synthesis methods

Product Name:2,4,6-Trifluorobenzoic acid
CAS Number:28314-80-9
Molecular formula:C7H3F3O2
Molecular Weight:176.09

Add 90 grams of 2,4,6-trifluoro-3,5-dichlorobenzoic acid, 540 grams of water, 33 grams of magnesium oxide, and 0.9 grams of 10% wet palladium-carbon to a 1-liter pressure-resistant reactor. Replace the gas with nitrogen 3 times, and then replace the gas with hydrogen 5 times. Use hydrogen to control the internal pressure of the kettle to 0.8-0.9 MPa, turn on the stirring, increase the temperature to 80-85°C for 10 hours, and stop the reaction. The reaction system is lowered to room temperature, the pressure in the kettle is removed, the reaction liquid is filtered, and the filtrate is adjusted to pH 1-2 with 20% hydrobromic acid solution, filtered, and the filter cake is rinsed and dried to obtain 2,4,6-Trifluorobenzoic acid 62.95 grams, the yield is 97.3%, and the purity is 99.1%.

96606-37-0 Synthesis

96606-37-0
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$6.00/1g

28314-80-9
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$6.00/1g

Yield:28314-80-9 95%

Reaction Conditions:

with sulfuric acid;water at 140;Reagent/catalyst;Temperature;

Steps:

6-8; B; B Example 7: Preparation of 2,4,6-trifluorobenzoic acid

Aqueous sulfuric acid (500g, 70%) was charged in a reactor and heated to 140°C. 2.4.6-trifluorobenzonitrile (100 g) was added continuously to reactor in 3-4 hours. The reaction mixture stirred for 2 hours and cooled to room temperature. The reaction mixture was filtered and washed with distilled water. The filtered solid was added in a mixture of ethyl acetate and hexane. The crystallisation mixture was stirred for 30 minutes and filtered to isolate product. The product was dried under vacuum at 70°C. Yield: 95%; Purity: 99%. 2.6-difluorobenzoic acid- not detectable (less than 0.05%) 2,4-difluorobenzoic acid- not detectable (less than 0.05%)

References:

WO2021/156893,2021,A1 Location in patent:Page/Page column 11; 12