HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzene, 1-chloro-3-isocyanato- → HCID 52933176, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Benzene, 1-chloro-3-isocyanato- | HCID 17968 | — |
| Reactant | Methyl 3-methyl-2-(5-(4-nitrophenyl)thiazole-2-carboxamido)butanoate | HCID 67150324 | — |
| Product | HCID 52933176 | HCID 52933176 | — |
Reaction Steps
The title compound was synthesized analogous to Example 9, using 1-chloro-3-isocyanatobenzene and intermediate 2. 1HNMR (DMSO-d6, 300 MHz): δ 9.337 (s, 1H), 8.741-8.713 (d, 2H), 8.362 (s, 1H), 8.203-8.144 (t, J=8.7, 9 Hz, 1H), 7.744-7.716 (d, J=8.4 Hz, 2H), 7.581-7.552 (d, J=8.7 Hz, 2H), 7.507-7.463 (d, J=2.7, 11.1 Hz, 1H), 7.266-7.237 (d, J=3.7 Hz, 2H), 4.350-4.299 (t, J=7.5, 7.8 Hz, 1H), 3.681 (s, 3H), 2.306-2.238 (m, 1H), 0.965-0.923 (d, J=6.3 Hz, 6H); MS (ESI) m/z 485 (M−H), 487 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08722901B2 |
| Source dataset | uspto-grants-2014_05 |
| ORD ID | ord-52c676bea91b43d39fdf4a879e13a86f |
| Source note | uspto-grants-2014_05 |