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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1991593Generated: October 31, 2026

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

https://huagongshe.com/reaction/1991593

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 numberUS07645789B2
Source datasetuspto-grants-2010_01
ORD IDord-c069b797a9c44c0882bb66b626c5d2cd
Source noteuspto-grants-2010_01