HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1908329Generated: October 28, 2026
Water → (6-Fluoro-benzo[1,3]dioxol-5-yl)-acetonitrile
https://huagongshe.com/reaction/1908329
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | Sodium Cyanide | HCID 8929 | — |
| Reactant | 5-Chloromethyl-6-fluoro-benzo[1,3]dioxole | HCID 59129208 | — |
| Solvent | Dimethyl Sulfoxide | HCID 679 | — |
| Product | (6-Fluoro-benzo[1,3]dioxol-5-yl)-acetonitrile | HCID 67044109 | 87% |
Reaction Steps
A mixture of 5-chloromethyl-6-fluoro-benzo[1,3]dioxole (640 mg, 3.4 mmol) and NaCN (340 mg, 6.8 mmol) in DMSO (20 mL) was stirred at 30° C. for 1 h and then poured into water. The mixture was extracted with EtOAc (50 mL×3). The combined organic layers were washed with water (50 mL) and brine (50 mL), dried over Na2SO4, and evaporated under reduced pressure to give the crude product, which was purified by column chromatography on silica gel (5-10% ethyl acetate/petroleum ether) to afford (6-fluoro-benzo[1,3]dioxol-5-yl)-acetonitrile (530 mg, 70%). 1H-NMR (300 MHz, CDCl3) δ 6.82 (d, J=4.8, 1H), 6.62 (d, J=5.4, 1H), 5.99 (s, 2H), 3.65 (s, 2H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08598181B2 |
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| Source dataset | uspto-grants-2013_12 |
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| ORD ID | ord-5361fec62453420c825e18c614bfb973 |
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| Source note | uspto-grants-2013_12 |
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