HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Chloro-2-fluorophenyl isocyanate → (S)-methyl 2-(5-(4-(3-(4-chloro-2-fluorophenyl)ureido)phenyl)oxazole-2-carboxamido)-3-methylbutanoate
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 4-Chloro-2-fluorophenyl isocyanate | HCID 4558203 | — |
| Reactant | Methyl 2-(5-(4-aminophenyl)oxazole-2-carboxamido)-3-methylbutanoate | HCID 67150345 | — |
| Product | (S)-methyl 2-(5-(4-(3-(4-chloro-2-fluorophenyl)ureido)phenyl)oxazole-2-carboxamido)-3-methylbutanoate | HCID 52932943 | — |
Reaction Steps
The title compound was synthesized analogous to Example 1, using 4-chloro-2-fluoro-1-isocyanatobenzene (0.533 mmol) and intermediate 1. 1H-NMR (DMSO-d6, 300 MHz): δ 9.356 (s, 1H), 9.017-8.990 (d, 1H), 8.733 (s, 1H), 8.208-8.149 (m, 1H), 7.826 (s, 1H), 7.809-7.780 (d, J=8.7 Hz, 2H), 7.623-7.593 (d, J=9 Hz, 2H), 7.514-7.470 (d, J=2.1, 11.1 Hz, 1H), 7.270-7.241 (dd, J=0.6, 8.7 Hz, 1H), 4.328-4.277 (m, 1H), 3.680 (s, 3H), 2.286-2.217 (m, 1H), 0.979-0.957 (d, J=6.6 Hz, 6H); MS (ESI) m/z 487 (M−H), 489 (M+H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08722901B2 |
| Source dataset | uspto-grants-2014_05 |
| ORD ID | ord-33c9351b9654442ea0e6150c1762fb18 |
| Source note | uspto-grants-2014_05 |