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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

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantSodium CyanideHCID 8929—
Reactant5-Chloromethyl-6-fluoro-benzo[1,3]dioxoleHCID 59129208—
SolventDimethyl SulfoxideHCID 679—
Product(6-Fluoro-benzo[1,3]dioxol-5-yl)-acetonitrileHCID 6704410987%

Reaction Conditions

Temperature30 °C

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

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08598181B2
Source datasetuspto-grants-2013_12
ORD IDord-5361fec62453420c825e18c614bfb973
Source noteuspto-grants-2013_12