HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 911268Generated: October 30, 2026
Benzyl mercaptan → 4-(benzylthio)benzonitrile
https://huagongshe.com/reaction/911268
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Benzyl mercaptan | HCID 7509 | — |
| Reactant | Cesium carbonate | HCID 10796 | — |
| Reactant | 4-Fluorobenzonitrile | HCID 14517 | — |
| Solvent | N-methyl-2-pyrrolidone | HCID 13387 | — |
| Product | 4-(benzylthio)benzonitrile | HCID 852572 | 31% |
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
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08022062B2 |
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| Source dataset | uspto-grants-2011_09 |
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| ORD ID | ord-14c9473e05974c70b5ef43909ddb0303 |
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| Source note | uspto-grants-2011_09 |
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