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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1927355Generated: October 31, 2026

Hydrochloric Acid → HCID 86609857, compound

https://huagongshe.com/reaction/1927355

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHydrochloric AcidHCID 313—
ReactantMethanolHCID 887—
ReactantDimethylformamideHCID 6228—
Reactant4-Isothiocyanato-2-(trifluoromethyl)benzonitrileHCID 11615540—
ReactantHCID 67132001HCID 67132001—
SolventAcetoneHCID 180—
SolventWaterHCID 962—
SolventDichloromethaneHCID 6344—
ProductHCID 86609857HCID 8660985756%

Reaction Steps

A mixture of 4-isothiocyanato-2-trifluoromethylbenzonitrile (1a) (0.638 g, 2.8 mmol) and [4-(1-cyanocyclobutylamino)phenyl]acetic acid (46a) (0.46 g, 2.0 mmol) in DMF (5 ml) was stirred at room temperature for 15 hours. To this mixture were added methanol (20 ml) and aq. 2N HCl (10 ml). The second mixture was refluxed for 1 h. After being cooled to room temperature, the reaction mixture was poured into cold water (10 ml) and extracted with ethyl acetate (3×50 ml). The organic layer was dried over MgSO4, concentrated and chromatographed (dichloromethane pure and then dichloromethane:acetone, 95:5) to yield {4-[7-(4-cyano-3-trifluoromethylphenyl)-8-oxo-6-thioxo-5,7-diaza-spiro[3.4]oct-5-yl]phenyl}acetic acid methyl ester (46b) [RD146] (0.532 g, 1.124 mmol, 56%), the structure of which is illustrated in Formula 15, as a white powder.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08183274B2
Source datasetuspto-grants-2012_05
ORD IDord-170403e61cec41c4b8211e9da837cd0c
Source noteuspto-grants-2012_05