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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 911268Generated: October 30, 2026

Benzyl mercaptan → 4-(benzylthio)benzonitrile

https://huagongshe.com/reaction/911268

Reaction equation

Participants

RoleNameHCIDCharge
ReactantBenzyl mercaptanHCID 7509—
ReactantCesium carbonateHCID 10796—
Reactant4-FluorobenzonitrileHCID 14517—
SolventN-methyl-2-pyrrolidoneHCID 13387—
Product4-(benzylthio)benzonitrileHCID 85257231%

Reaction Conditions

Temperature120 °C

Reaction Steps

Mix under argon atmosphere 4-fluorobenzonitrile (1.21 g, 10 mmol), benzyl mercaptan (1.86 g, 15 mmol), and cesium carbonate (6.5 g, 20 mmol) in anhydrous NMP (20 mL). Degas the flask and fill with argon. Heat at 120° C. for 3 h. Cool to ambient temperature, dilute with EtOAc, filter and wash with 1N aqueous HCl. Separate the organic layer, dry over Na2SO4 and concentrate in vacuo. Purify by chromatography on silica gel eluting with hexane/EtOAc (1:0 and 9:1) to obtain the desired intermediate (689 mg, 31%). GC-MS m/z: 225 (M+).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08022062B2
Source datasetuspto-grants-2011_09
ORD IDord-14c9473e05974c70b5ef43909ddb0303
Source noteuspto-grants-2011_09