HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Chloro-4-(trifluoromethyl)phenyl isocyanate → (S)-methyl 2-(5-(4-(3-(2-chloro-4-(trifluoromethyl)phenyl)ureido) phenyl)oxazole-2-carboxamido)-3-methylbutanoate
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 2-Chloro-4-(trifluoromethyl)phenyl isocyanate | HCID 5102533 | — |
| Reactant | Methyl 2-(5-(4-aminophenyl)oxazole-2-carboxamido)-3-methylbutanoate | HCID 67150345 | — |
| Product | (S)-methyl 2-(5-(4-(3-(2-chloro-4-(trifluoromethyl)phenyl)ureido) phenyl)oxazole-2-carboxamido)-3-methylbutanoate | HCID 52932941 | — |
Reaction Steps
The title compound was synthesized analogous to Example 1, using 2-chloro-4-(trifluoromethyl)-1-isocyanatobenzene (0.533 mmol) and intermediate 1. 1H NMR (DMSO-d6, 300 MHz): δ 9.883 (s, 1H), 9.025-8.998 (d, 1H), 8.707 (s, 1H), 8.498-8.469 (d, J=8.7 Hz, 1H), 7.904-7.898 (d, J=1.8 Hz, 1H), 7.842 (s, 1H), 7.837-7.807 (d, J=9 Hz, 2H), 7.723-7.688 (dd, J=1.8, 9 Hz, 1H), 7.653-7.624 (d, J=8.7 Hz, 2H), 4.332-4.2827 (m, 1H), 3.682 (s, 3H), 2.228-2.219 (m, 1H), 0.982-0.960 (d, J=6.6 Hz, 6H); MS (ESI) m/z 537 (M−H), 539 (M+H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08722901B2 |
| Source dataset | uspto-grants-2014_05 |
| ORD ID | ord-d28b5f1c9a6c46e594f54de119de9276 |
| Source note | uspto-grants-2014_05 |