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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2172530Generated: November 1, 2026

Water → 5-[3-(2,6-dichloropyridin-4-yl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2-(1H-1,2,4-triazol-1-yl)benzonitrile

https://huagongshe.com/reaction/2172530

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantTetrabutylammonium FluorideHCID 2724141—
Reactantmethyl 3-cyano-4-(1H-1,2,4-triazol-1-yl)-N-[(trimethylsilyl)methyl]benzenecarbimidothioateHCID 66820051—
ReactantPyridine, 2,6-dichloro-4-[1-(trifluoromethyl)ethenyl]-HCID 86664620—
SolventTetrahydrofuranHCID 8028—
Product5-[3-(2,6-dichloropyridin-4-yl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2-(1H-1,2,4-triazol-1-yl)benzonitrileHCID 4978713946%

Reaction Steps

To the crude solution of methyl 3-cyano-4-(1H-1,2,4-triazol-1-yl)-N-[(trimethylsilyl)methyl]benzenecarbimidothioate (Japanese patent application JP2008-143120) was added 2,6-dichloro-4-(3,3,3-trifluoroprop-1-en-2-yl)pyridine (0.15 g) and the resultant mixture was cooled to −10° C. Additionally, a solution of tetrabutylammonium fluoride (0.70 mL of 1.0 M in THF) in THF was added over 10 minutes under argon atmosphere. The reaction mixture was stirred for 30 minutes at the same temperature and returned to room temperature gradually, and then stirred 3 hours. Water was added to the reaction liquor, and aqueous layer was extracted with ethyl acetate. The combined organic layers were washed with a saturated aqueous brine, and subsequently dried over magnesium sulfate. After filtering the reaction mixture, the solvent was distilled off under reduced pressure, and the resulting mixture was purified by silica gel chromatography, to obtain 5-[3-(2,6-dichloropyridin-4-yl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrol-5-yl]-2-(1H-1,2,4-triazol-1-yl)benzonitrile (0.14 g) at a yield of 46%.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09055749B2
Source datasetuspto-grants-2015_06
ORD IDord-07a9c8c0fe2840a385a6c06973640899
Source noteuspto-grants-2015_06