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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1879847Generated: October 31, 2026

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

https://huagongshe.com/reaction/1879847

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 numberUS08318733B2
Source datasetuspto-grants-2012_11
ORD IDord-9ea2140ed2c740baaf9da403bfd25223
Source noteuspto-grants-2012_11