methyl 3-((trifluoromethyl)thio)benzoate synthesis
- Product Name:methyl 3-((trifluoromethyl)thio)benzoate
- CAS Number:88489-59-2
- Molecular formula:C9H7F3O2S
- Molecular Weight:236.21
Yield:88489-59-2 99%
Reaction Conditions:
with sulfuric acid at 90; for 5 h;
Steps:
1.A Step A: 3-((trifluoromethyl)thio)benzoate
Step A: methyl 3-((trifluoromethyl)thio)benzoate [0148] To dimethylcarbonate (68 mL) was added 3-((trifluoromethyl)thio)benzoic acid (100 g, Beta Pharma Scientific) and a catalytic amount of sulfuric acid (2.4 mL). The mixture was then heated to 90°C for 5h. The reaction was then cooled to room temperature and quenched with sodium bicarbonate (1.0 L). To the aqueous layer was with ethyl acetate (1.0 L). The phases were separated and this process was repeated with ethyl acetate (1.0 L). The organic layers were combined and concentrated with a rotovap to give a light orange oil. The methyl 3-((trifluoromethyl)thio)benzoate (105g, 99%) was taken on crude to the next reaction. NMR (300 MHz, CHLOROFORM-^ δ ppm 3.99 (s, 3 H) 7.49 - 7.58 (m, 1 H) 7.85 (d, J=l.62 Hz, 1 H) 8.17 (dt, J=7.69, 1.43 Hz, 1 H) 8.32 - 8.44 (m, 1 H).
References:
WO2016/69393,2016,A1 Location in patent:Paragraph 0147-0148
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