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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 458208Generated: October 30, 2026

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

https://huagongshe.com/reaction/458208

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantDiethyl (ethoxymethylene)malonateHCID 6871—
ReactantPotassium HydroxideHCID 14797—
ReactantDiethyl [2,3,4-trifluoro[(1S)-2-hydroxy-1-methylethyl]anilino]methylenemalonateHCID 11485652—
CatalystTetrabutylammonium hydrogen sulfateHCID 94433—
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

Potassium hydroxide (180 mg) and tetrabutylammonium hydrogensulfate (90.4 mg) were dissolved in DMF (15 ml) by heating to 60° C. and a solution of diethyl [2,3,4-trifluoro[(1S)-2-hydroxy-1-methylethyl]anilino]methylenemalonate (1 g, 99.8% ee) and diethyl ethoxymethylenemalonate (120 mg) in DMF 85 ml) was added thereto. The obtained mixture was stirred at the same temperature for 2 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, 852 mg (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 numberUS07189847B2
Source datasetuspto-grants-2007_03
ORD IDord-dcc551d155e746278ca2c6f691fce6d7
Source noteuspto-grants-2007_03