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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 45185Generated: October 29, 2026

Water → 1-(3-Fluorophenyl)-4-oxocyclohexanecarbonitrile

https://huagongshe.com/reaction/45185

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantHCID 58380928HCID 58380928—
SolventDimethyl SulfoxideHCID 679—
Product1-(3-Fluorophenyl)-4-oxocyclohexanecarbonitrileHCID 2143361969.7%

Reaction Conditions

Temperature150 °C

Reaction Steps

A mixture of 1-cyano-1-(3-fluorophenyl)-3-methoxycarbonylcyclohexan-4-one (57, 51 g, 185 mmol), water (54.8 mL) and DMSO (840 mL) was heated and stirred at 150° C. for 3 hours, followed by stirring at room temperature overnight. The reaction mixture was evaporated and purified by chromatography on silica gel. Elution with ethyl acetate/heptane (5%:95% to 30%:70%) gave 28 g of desired material as a solid product. Rt=3.89 min (Method 3). Detected mass: 218.2 (M+H+).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08541449B2
Source datasetuspto-grants-2013_09
ORD IDord-c826da8d534e40158cc0e144bb4304b5
Source noteuspto-grants-2013_09