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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 25303Generated: October 25, 2026

Water → HCID 178509603, compound

https://huagongshe.com/reaction/25303

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantSodium SulfideHCID 14804—
Reactant2-Chloro-4-(3-trifluoromethylpyrazolyl) benzonitrileHCID 178509602—
SolventDimethylformamideHCID 6228—
ProductHCID 178509603HCID 17850960397.6%

Reaction Steps

5.0 g (18.4 mmol) of 2-chloro-4-(3-trifluoromethylpyrazolyl)benzonitrile in N,N-dimethylformamide was stirred together with 1.86 g (23.9 mmol) of sodium sulfide at 120° C. for 30 minutes. The reaction mixture was cooled to room temperature, mixed with 100 ml of water, washed with 30 ml of ethyl acetate, and the aqueous layer was adjusted at pH 5-6 with citric acid, and extracted with 50 ml of ethyl acetate twice. The ethyl acetate layers were combined, washed with 50 ml of water twice and dried over anhydrous magnesium sulfate. The ethyl acetate was distilled off under reduced pressure to obtain 2-mercapto-4-(3-trifluoromethylpyrazolyl)benzonitrile (yield 97.6%) as a pale yellow powder, which was used in Example 1 (2) as the starting material.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06858639B2
Source datasetuspto-grants-2005_02
ORD IDord-65d3528a2c174145a0986568ff963a1a
Source noteuspto-grants-2005_02