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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1766810Generated: November 2, 2026

Acetone → 6-(2-Chlorophenylamino)-7-fluoro-3-methyl-benzo[c]-isoxazole-5-carboxylic acid methyl ester

https://huagongshe.com/reaction/1766810

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetoneHCID 180—
ReactantSodium AzideHCID 33557—
Reactant5-Acetyl-2-(2-chlorophenylamino)-3,4-difluorobenzoic acid methyl esterHCID 86596773—
SolventWaterHCID 962—
SolventEthyl AcetateHCID 8857—
Product6-(2-Chlorophenylamino)-7-fluoro-3-methyl-benzo[c]-isoxazole-5-carboxylic acid methyl esterHCID 6886050977%

Reaction Steps

Sodium azide (128 mg, 1.95 mmol) was added to a mixture of 5-acetyl-2-(2-chlorophenylamino)-3,4-difluorobenzoic acid methyl ester (6) (601 mg, 1.59 mmol) in 3:1 acetone:water (16 ml) and heated to reflux. After 16 hours, the reaction mixture was cooled to room temperature, and diluted with EtOAc and water. The organic layer was washed with water, dried (MgSO4) and concentrated. The resulting residue was diluted with water (8 mL) and heated to reflux. After 5 hours, the mixture was cooled to room temperature and diluted with EtOAc. The organic layer was washed with water, dried (MgSO4) and concentrated. Purification by flash column chromatography using the Biotage system (20% EtOAc in hexanes) provided the desired product (55) (410 mg, 77%).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07230099B2
Source datasetuspto-grants-2007_06
ORD IDord-1dd1464b037e40188f6412209c21616c
Source noteuspto-grants-2007_06