Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1043991Generated: November 3, 2026

Acetonitrile → 1,3-Benzodioxole-5-carboxylic acid, 2,2-difluoro-, methyl ester

https://huagongshe.com/reaction/1043991

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetonitrileHCID 6342—
ReactantTriethylamineHCID 8471—
Reactant5-Bromo-2,2-difluoro-1,3-benzodioxoleHCID 2736271—
CatalystHCID 178418397HCID 178418397—
SolventMethanolHCID 887—
Product1,3-Benzodioxole-5-carboxylic acid, 2,2-difluoro-, methyl esterHCID 59129261212.8%

Reaction Conditions

Temperature75 °C

Reaction Steps

A solution of 5-bromo-2,2-difluoro-benzo[1,3]dioxole (11.8 g, 50.0 mmol) and tetrakis(triphenylphosphine)palladium (0) [Pd(PPh3)4, 5.78 g, 5.00 mmol] in methanol (20 mL) containing acetonitrile (30 mL) and triethylamine (10 mL) was stirred under a carbon monoxide atmosphere (55 PSI) at 75° C. (oil bath temperature) for 15 hours. The cooled reaction mixture was filtered and the filtrate was evaporated to dryness. The residue was purified by silica gel column chromatography to give crude 2,2-difluoro-benzo[1,3]dioxole-5-carboxylic acid methyl ester (11.5 g), which was used directly in the next step.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08563573B2
Source datasetuspto-grants-2013_10
ORD IDord-854666f0f0f7495698bcb13294de0780
Source noteuspto-grants-2013_10