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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2288562Generated: October 31, 2026

Sodium Bicarbonate → 5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-propanoylpyrazole

https://huagongshe.com/reaction/2288562

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium BicarbonateHCID 516892—
Reactantp-Toluenesulfonic acid monohydrateHCID 521998—
Reactant5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-(prop-1-ynyl)pyrazoleHCID 22173379—
SolventAcetonitrileHCID 6342—
Product5-Amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-propanoylpyrazoleHCID 18699440—

Reaction Steps

p-Toluenesulphonic acid monohydrate (2.92 g) was added to a stirred solution of 5-amino-3-cyano-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-(prop-1-yn-1-yl)pyrazole (WO-A-97/07102; 2.1 g) in acetonitrile (40 ml) and the mixture stirred at room temperature for 1 hour. Further p-toluenesulphonic acid monohydrate (1.0) was added and this mixture stirred at room temperature for 16 hours. Further acetonitrile (20 ml) and yet more p-toluenesulphonic acid monohydrate (1.0 g) were added and stirring continued for 1 hour, then the reaction mixture was poured into saturated aqueous sodium bicarbonate solution (500 ml) and extracted with ether (2×100 ml). The combined organic extracts were washed with brine (100 ml), dried (Na2SO4) and evaporated under reduced pressure, then the residue purified by column chromatography on silica gel (70 g), using dichloromethane as eluant, to yield the title compound as a pale brown solid, m.p. 167-169° C. δ (CDCl3): 1.26 (t,3H), 3.03 (q,2H), 5.83 (br.s,2H), 7.80 (s,2H). MS (thermospray): M/Z [M+H] 377.2; C14H9Cl2F3N4O+H requires 377.0.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06090394
Source datasetuspto-grants-2000_07
ORD IDord-c5c6e31bb54b480e94c20ecafd329665
Source noteuspto-grants-2000_07