HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1440146Generated: October 30, 2026
Propargyl bromide → 2H-1,4-benzoxazin-3(4H)-one
https://huagongshe.com/reaction/1440146
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Propargyl bromide | HCID 7842 | — |
| Reactant | Potassium Carbonate | HCID 11430 | — |
| Reactant | 6-(4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-7-fluoro-2H-1,4-benzoxazin-3(4H)-one | HCID 19436768 | — |
| Solvent | Acetone | HCID 180 | — |
| Solvent | Water | HCID 962 | — |
| Product | 2H-1,4-benzoxazin-3(4H)-one | HCID 72757 | 231.5% |
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
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US05496956 |
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| Source dataset | uspto-grants-1996_03 |
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| ORD ID | ord-2f78f8c3a0a54044a71e4c0e7fdc89c9 |
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| Source note | uspto-grants-1996_03 |
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