Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Triethylamine | HCID 8471 | — |
| Reactant | 1,1'-Carbonyldiimidazole | HCID 68263 | — |
| Reactant | N,N'-Dimethylthiourea | HCID 2723631 | — |
| Reactant | 2,2,7-trifluoro-6-isocyanato-4-(prop-2-ynyl)-2H-benzo[b][1,4]oxazin-3(4H)-one | HCID 86664300 | — |
| Solvent | Toluene | HCID 1140 | — |
| Solvent | Water ethylacetate | HCID 22728543 | — |
| Product | Trifludimoxazin | HCID 49831143 | — |
Reaction Steps
To 1,3-dimethylthiourea (2.489 g, 23.89 mmol) and triethylamine (2.78 ml, 19.91 mmol) in dry toluene was added 2,2,7-trifluoro-6-isocyanato-4-(prop-2-ynyl)-2H-benzo[b][1,4]oxazin-3(4H)-one (5.62 g, 19.91 mmol) in dry toluene. Hereto was subsequently added carbonyldiimidazole (CDI; 6.46 g, 39.8 mmol) and the resulting mixture was stirred at 80° C. overnight. Then the reaction mixture was cooled to room temperature and poured into ethyl acetate/water under stirring. The layers were separated and the aqueous layer was extracted with dichloromethane. The combined extracts were washed with brine, dried with Na2SO4 and concentrated to yield 14.4 g.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US08754008B2 |
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| Source dataset | uspto-grants-2014_06 |
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| ORD ID | ord-dad3d3b56d2343c5b9ec6f5b7e1c341f |
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| Source note | uspto-grants-2014_06 |
|---|