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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 451124Generated: October 27, 2026

2-Phenylcyclohexanone → 4a-phenyl-4a,5,6,7-tetrahydro-2H-benzo[e][1,3]oxazine-2,4(3H)-dione

https://huagongshe.com/reaction/451124

Reaction equation

Participants

RoleNameHCIDCharge
Reactant2-PhenylcyclohexanoneHCID 95592—
ReactantIsocyanatocarbonyl chlorideHCID 119708—
SolventEthyl AcetateHCID 8857—
Product8-phenyl-5,6,7,8-tetrahydro-2H-benzo[e][1,3]oxazine-2,4(3H)-dioneHCID 1051436819.62%
Product4a-phenyl-4a,5,6,7-tetrahydro-2H-benzo[e][1,3]oxazine-2,4(3H)-dioneHCID 1053818235.3%

Reaction Conditions

Temperature130 °C

Reaction Steps

A solution of 2-phenylcyclohexanone (1.500 g, 8.61 mmol) and carbonisocyanatidic chloride (0.966 mL, 12 mmol) was stirred at 58° C. in a high-pressure vessel (75 mL) for 1 h. The temperature was raised to 130° C. and the reaction mixture was stirred for 2 h. After cooling to room temperature, the reaction mixture solidified. The solid residue was dissolved in ethyl acetate and washed with saturated aqueous solution of sodium bicarbonate. The organic layer was separated and the aqueous layer was extracted twice with ethyl acetate. The combined organic extracts were dried over anhydrous sodium sulfate and filtered. The solvent was removed in vacuum and the oily residue was purified by column chromatography on silica gel to provide 8-phenyl-5,6,7,8-tetrahydro-2H-benzo[e][1,3]oxazine-2,4(3H)-dione (415.0 mg, 1.689 mmol, 19.62% yield) as white solid and 4a-phenyl-4a,5,6,7-tetrahydro-2H-benzo[e][1,3]oxazine-2,4(3H)-dione (746.4 mg, 3.04 mmol, 35.3% yield) as white solid.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08486952B2
Source datasetuspto-grants-2013_07
ORD IDord-ece7c552872f43cb8632bcaa31b47b50
Source noteuspto-grants-2013_07