HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2370180Generated: October 29, 2026
Toluene → 7-(2,4-difluorophenyl)-6,7-dihydrocyclopenta[e][1,3]oxazine-2,4(3H,5H)-dione
https://huagongshe.com/reaction/2370180
Participants
| Role | Name | HCID | Charge |
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| Reactant | Toluene | HCID 1140 | — |
| Reactant | Isocyanatocarbonyl chloride | HCID 119708 | — |
| Reactant | 2-(2,4-Difluorophenyl)cyclopentanone | HCID 58075440 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Product | 7-(2,4-difluorophenyl)-6,7-dihydrocyclopenta[e][1,3]oxazine-2,4(3H,5H)-dione | HCID 58075744 | 36.4% |
Reaction Steps
A mixture of 2-(2,4-difluorophenyl)cyclopentanone (1.014 g, 5.17 mmol) and 50% wt. carbonisocyanatidic chloride solution in toluene (1.963 g, 9.30 mmol) was heated at 58° C. for 1 h and at 120° C. for 3 h. The reaction mixture was dissolved in ethyl acetate and washed with an aqueous solution of sodium bicarbonate. The organic layer was separated and the aqueous layer was extracted with ethyl acetate. The combined organic extracts were dried over anhydrous magnesium sulfate and filtered. The solvent was removed in vacuum and the residue was purified by column chromatography on silica gel to give 7-(2,4-difluorophenyl)-6,7-dihydrocyclopenta[e][1,3]oxazine-2,4(3H,5H)-dione (499.3 mg, 1.883 mmol, 36.4% yield) as brown solid. LC-MS (M+H)+=265.1.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08710061B2 |
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| Source dataset | uspto-grants-2014_04 |
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| ORD ID | ord-ece3937804d348e481e5b15ab489bd21 |
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| Source note | uspto-grants-2014_04 |
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