HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,6-Difluorophenyl isocyanate → Ethyl 3-(4-(3-(2,6-difluorophenyl)ureido)-3-methylphenyl)isoxazole-5-carboxylate
Beteiligte Stoffe
| Rolle | Name | HCID | Einwaage |
|---|---|---|---|
| Edukt | 2,6-Difluorophenyl isocyanate | HCID 522162 | — |
| Edukt | Ethyl 3-(4-amino-3-methylphenyl)isoxazole-5-carboxylate | HCID 67353967 | — |
| Lösungsmittel | Tetrahydrofuran | HCID 8028 | — |
| Produkt | Ethyl 3-(4-(3-(2,6-difluorophenyl)ureido)-3-methylphenyl)isoxazole-5-carboxylate | HCID 67352408 | 91% |
Reaktionsschritte
Ethyl 3-(4-amino-3-methylphenyl)isoxazole-5-carboxylate (1.0 equiv.), 2,6-difluoro phenyl isocyanate (1.2 equiv.) and tetrahydrofuran was taken in a round bottom flask and was stirred at room temperature for 48 hours. The solid precipitate was filtered and washed with minimum quantity of THF and dried in vacuo to afford the title compound as a white solid (91%); 1H NMR (300 MHz, DMSO-d6) δ: 1.29-1.34 (t, J=7.0 Hz, 3H), 2.31 (s, 3H), 4.33-4.40 (q, 2H), 7.11-7.17 (m, 2H), 7.24-7.31 (m, 1H), 7.71-7.74 (dd, J=8.7 Hz, 1.8 Hz, 1H), 7.81 (s, 2H), 8.04-8.07 (d, J=8.7 Hz, 1H), 8.31 (s, 1H), 8.65 (s, 1H); IR (KBr) 3292, 3132, 2984, 1723, 1644, 1621, 1588, 1560 1471, 1449, 1288, 1235, 1125, 1006, 849, 768 cm−1.
Herkunft & Nachweise
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patentnummer | US08835428B2 |
| Quelldatensatz | uspto-grants-2014_09 |
| ORD ID | ord-6f0d971996c2478d93fe5fb8f180b25c |
| Quellennotiz | uspto-grants-2014_09 |