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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 245028Generated: October 30, 2026

Hydrochloric Acid → 4-[1-(4-Cyano-3-fluorophenyl)-4-oxo-2-thioxo-1,3-diazaspiro[4.4]non-3-yl]-2-trifluoromethylbenzonitrile

https://huagongshe.com/reaction/245028

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHydrochloric AcidHCID 313—
ReactantMethanolHCID 887—
Reactant4-Isothiocyanato-2-(trifluoromethyl)benzonitrileHCID 11615540—
Reactant4-(1-Cyanocyclopentylamino)-2-fluorobenzonitrileHCID 67131980—
SolventWaterHCID 962—
SolventDimethylformamideHCID 6228—
Product4-[1-(4-Cyano-3-fluorophenyl)-4-oxo-2-thioxo-1,3-diazaspiro[4.4]non-3-yl]-2-trifluoromethylbenzonitrileHCID 159516257%

Reaction Conditions

Temperature60 °C

Reaction Steps

A mixture of 4-isothiocyanato-2-trifluoromethylbenzonitrile (1a) (0.171 g, 0.75 mmol) and 4-(1-cyanocyclopentylamino)-2-fluorobenzonitrile (54b) (0.115 g, 0.5 mmol) in dry DMF (1 ml) was heated under microwave irradiation at 60° C. for 48 hours. To this mixture were added methanol (3 ml) and aq 2M HCl (2 ml). The second mixture was refluxed for 1 hour. After being cooled to room temperature, the reaction mixture was poured into cold water (10 ml) and extracted with ethyl acetate (15 ml). The organic layer was dried over MgSO4, concentrated and chromatographed (dichloromethane:acetone, 98:2) to yield 4-[1-(4-cyano-3-fluorophenyl)-4-oxo-2-thioxo-1,3-diazaspiro[4.4]non-3-yl]-2-trifluoromethylbenzonitrile (54c) [RD168] (0.017 g, 0.037 mmol, 7%), of which the structure is illustrated in Formula 30, as an off-white powder.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08658681B2
Source datasetuspto-grants-2014_02
ORD IDord-8e6f88373ea44b0f92605ae9ece69ddf
Source noteuspto-grants-2014_02