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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1403818Generated: November 1, 2026

Water → (6-Fluoro-benzo[1,3]dioxol-5-yl)-acetonitrile

https://huagongshe.com/reaction/1403818

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 numberUS08912199B2
Source datasetuspto-grants-2014_12
ORD IDord-399f8e22453b4c2bb127442d56064a48
Source noteuspto-grants-2014_12