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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 8479Generated: October 26, 2026

Water → (S)-Diethyl (7,8-Difluoro-3-Methyl-3,4-Dihydro-2H-[1,4]Benzoxazin-4-Yl)Methylene-Malonate

https://huagongshe.com/reaction/8479

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantDiethyl (ethoxymethylene)malonateHCID 6871—
ReactantPotassium HydroxideHCID 14797—
Reactant(2S)-2-(2,3,4-Trifluoroanilino)propanolHCID 11401466—
CatalystTetrahexylammonium chlorideHCID 80021—
SolventDimethylformamideHCID 6228—
Product(S)-Diethyl (7,8-Difluoro-3-Methyl-3,4-Dihydro-2H-[1,4]Benzoxazin-4-Yl)Methylene-MalonateHCID 11089557—

Reaction Conditions

Temperature60 °C

Reaction Steps

At room temperature, KOH (330 mg) and tetrahexylammonium chloride (190.1 mg) were dissolved in DMF (15 ml). After adding a solution (5 ml) of (2S)-2-(2,3,4-trifluoroanilino)propanol (1 g, 99.8% ee) and diethyl ethoxymethylenemalonate (2.09 g) in DMF, the mixture was stirred for 1 hour. Next, it was heated to 60° C. and a solution (5 ml) of KOH (330 mg) and diethyl ethoxymethylenemalonate (120 mg) in DMF was added thereto. The resultant mixture was stirred at the same temperature for 5 hours. After adding water, the liquid reaction mixture was extracted with ethyl acetate. The organic layer was dried over anhydrous magnesium sulfate. After evaporating the solvent, the obtained residue was subjected to silica gel column chromatography. Thus, 1.37 g (99.8% ee) of the title compound was obtained as a yellow oily substance. Various spectral data was identical with those described in Japanese Patent No. 2,769,174.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07087778B2
Source datasetuspto-grants-2006_08
ORD IDord-ffa02a76540e496189594119513487f8
Source noteuspto-grants-2006_08