HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 707552Generated: October 30, 2026
Thiophenol → 4-(1,3-Dioxan-2-yl)-3-(phenylsulfanyl)benzonitrile
https://huagongshe.com/reaction/707552
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Thiophenol | HCID 7969 | — |
| Reactant | Potassium Carbonate | HCID 11430 | — |
| Reactant | 4-(1,3-Dioxan-2-yl)-3-fluorobenzonitrile | HCID 58032581 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | 4-(1,3-Dioxan-2-yl)-3-(phenylsulfanyl)benzonitrile | HCID 58133716 | — |
Reaction Steps
The reaction was carried out under argon. 4-(1,3-Dioxan-2-yl)-3-fluorobenzonitrile (207 mg, 1 mmol) and thiophenol (100 mg, 0.9 mmol; 1.1 eq.) were initially charged in DMF (3 ml). Potassium carbonate (314 mg, 2.27 mmol; 2.5 eq.) was added at RT, and the mixture was stirred at 100° C. for 4 h. LC/MS control then showed complete conversion. The reaction mixture was purified directly by preparative HPLC (column: Gromsil C-18; mobile phase: acetonitrile/water+0.1% TFA 10:90→90:10). The title compound was obtained as a solid (238 mg, 80% of theory).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09174997B2 |
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| Source dataset | uspto-grants-2015_11 |
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| ORD ID | ord-bed235aa9ebe44b69b5573df00cb1760 |
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| Source note | uspto-grants-2015_11 |
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