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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2395656Generated: October 31, 2026

Propargyl bromide → 2H-1,4-benzoxazin-3(4H)-one

https://huagongshe.com/reaction/2395656

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPropargyl bromideHCID 7842—
ReactantPotassium CarbonateHCID 11430—
Reactant6-(4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-7-fluoro-2H-1,4-benzoxazin-3(4H)-oneHCID 19436768—
SolventAcetoneHCID 180—
SolventWaterHCID 962—
Product2H-1,4-benzoxazin-3(4H)-oneHCID 72757231.5%

Reaction Conditions

Temperature40 °C

Reaction Steps

At 25° C., 3.0 g (8.6 mmole) of the product of step A, 1.22 g (6.0 mmole) K2CO3 and 0.79 mL (8.8 mmole) 80% propargyl bromide were slurried in 50 mL acetone. The reaction was stirred at 40° C. for 6 hours. The reaction was cooled, diluted with 100 mL cold water, and extracted four times with ethyl acetate. The ethyl acetate extracts were washed with brine, dried over anhydrous MgSO4, and stripped in vacuo. The residue was recrystallized from methylcyclohexane to give 2.97 g (89%) of 2H-1,4-benzoxazin-3(4H)-one, 6-(4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-7-fluoro-4-(2-propynyl)-2H-1,4-benzoxazin-3(4H)-one as a beige solid, mp 142°-143° C.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS05489571
Source datasetuspto-grants-1996_02
ORD IDord-44e048a305d546b8986528b733dbca22
Source noteuspto-grants-1996_02