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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1892454Generated: October 28, 2026

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

https://huagongshe.com/reaction/1892454

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 numberUS08507687B2
Source datasetuspto-grants-2013_08
ORD IDord-5a8f732911774b9eb2466876feaebdaf
Source noteuspto-grants-2013_08