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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 870792Generated: October 28, 2026

Water → 2,2-Difluoro-1,3-benzodioxole-5-acetonitrile

https://huagongshe.com/reaction/870792

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantSodium CyanideHCID 8929—
Reactanttert-Butyl methyl etherHCID 15413—
Reactant5-(Chloromethyl)-2,2-difluorobenzo[d][1,3]dioxoleHCID 21992809—
SolventDimethyl SulfoxideHCID 679—
Product2,2-Difluoro-1,3-benzodioxole-5-acetonitrileHCID 2031138495%

Reaction Conditions

Temperature35 °C

Reaction Steps

A solution of 5-chloromethyl-2,2-difluoro-1,3-benzodioxole (1 eq) in DMSO (1.25 vol) was added to a slurry of NaCN (1.4 eq) in DMSO (3 vol), while maintaining the temperature between 30 to 40° C. The mixture was stirred for 1 hour, and then water (6 vol) was added, followed by methyl tert-butyl ether (MTBE) (4 vol). After stirring for 30 minutes, the layers were separated. The aqueous layer was extracted with MTBE (1.8 vol). The combined organic layers were washed with water (1.8 vol), dried (Na2SO4), filtered, and concentrated to afford crude (2,2-difluoro-1,3-benzodioxol-5-yl)-acetonitrile (95%) that was used directly in the next step.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08969574B2
Source datasetuspto-grants-2015_03
ORD IDord-93bccef8ca7a4bd4995e1578d520da03
Source noteuspto-grants-2015_03