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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1929436Generated: October 31, 2026

Methanol → HCID 66790291, compound

https://huagongshe.com/reaction/1929436

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethanolHCID 887—
ReactantTolueneHCID 1140—
ReactantCesium carbonateHCID 10796—
ReactantHCID 66790552HCID 66790552—
Catalystpalladium(II) acetateHCID 167845—
Catalyst(1,1'-Binaphthalen)-2-yldi-tert-butylphosphineHCID 2734941—
SolventWaterHCID 962—
ProductHCID 66790291HCID 6679029137.2%

Reaction Conditions

Temperature70 °C

Reaction Steps

A mixture of 6-chloro-4-(4-fluorophenyl)-2,2-dimethyl-7-nitro-2H-1,4-benzoxazin-3(4H)-one (compound obtained in Reference Example 50(2); 400 mg), palladium acetate (5.1 mg), racemic 2-(di-tert-butylphosphino)-1,1′-binaphthyl (11.4 mg), cesium carbonate (557 mg), methanol (1 mL) and toluene (4 mL) was stirred at 70° C. under argon atmosphere for 26 hours. After cooling, to the reaction mixture was added water, and the mixture was extracted with ethyl acetate. The organic layer was washed with brine, dried over sodium sulfate and concentrated in vacuo. The resultant residue was suspended in chloroform (4 mL) and thereto was added 1-hydroxybenzotriazole (154 mg) and 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride (208 mg). The mixture was stirred at room temperature for 3 hours. To the reaction mixture was added water, and the mixture was extracted with chloroform. The organic layer was washed successively with an aqueous saturated sodium hydrogencarbonate solution and brine, dried over sodium sulfate and concentrated in vacuo. The residue was purified by column chromatography on NH-silica gel (Chromatorex NH-silica gel; solvent; n-hexane/ethyl acetate=9/1) to give 4-(4-fluorophenyl)-6-methoxy-2,2-dimethyl-7-nitro-2H-1,4-benzoxazin-3(4H)-one (147 mg) as a pale yellow powder.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08188073B2
Source datasetuspto-grants-2012_05
ORD IDord-f2ff74d3437d4c388ad78730ba31637d
Source noteuspto-grants-2012_05