Continuously updated synthesis method about 3-(Trifluoromethyl)-1H-pyrazole

The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.

Researchers who often do experiments know that organic synthesis is a process of preparing more complex target molecules from simple raw materials through one or more chemical reactions. Generally, it requires fewer steps, and cheap raw materials. 20154-03-4, name is 3-(Trifluoromethyl)-1H-pyrazole, A new synthetic method of this compound is introduced below., Formula: C4H3F3N2

To a solution of Intermediate 17 ethyl 1-(6-(2-(2-methyl-4-(3- ((methylsulfonyl)oxy)propoxy) phenethyl) phenyl)-pyridin-2-yl)-5-(trifluoromethyl)- 1 Hpyrazole-4-carboxylate (232 mg, 0.367 mmol) in tetrahydrofuran (THF) (10 ml) at RT was added NaH (30.9 mg, 0.772 mmol). The suspension was stirred 30mm then 3-(trifluoromethyl)-1H-pyrazole (50mg, 0.367 mmol) was added. Analysis of the reaction byTLC showed the reaction was complete. 2 equivalents of HCI iN were added. Thereaction mixture was concentrated in vacuo, dissolved in EtOAc and washed with H20.The organic layer was dried over anhydrous Na2SO4, filtered and concentrated in vacuo.The product was purified by chromatography on a Isco Companion. The sample wasloaded on 10 g Biotage silica (Si) column then the purification was carried out using DCM /MeOH 100/0 to 98/2. The appropriate fractions were combined and concentrated in vacuo to give the required product as an off-white oil (180 mg, 76percent). LC/MS rt =3.25 mm m/z = 644 [M+H]. HRMS rt = 2.95 mi (M+H) Calculated=644.2096; found=644.2130 (z=6.5 ppm).1H NMR (d6-DMSO) O (ppm): 8.3 (5, 1H), 8.2 (t, 1H), 8.0 (m, 1H), 7.8 (d, 1H), 7.7 (d, 1H),7.4 (m, 4H), 6.7 (5, 1H), 6.6 (m, 2H), 6.5 (d, 1H), 4.4 (m, 2H), 3.9 (m, 2H), 2.8 (m, 2H), 2.6 (m, 2H), 2.25 (m, 2H), 1.9 (5, 3H).

The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.