HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Bromo-4-methylthiophene-2-carbonitrile → 4-Methyl-5-(5-methyl-2-oxo-5-phenyl-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)thiophene-2-carbonitrile
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 5-Bromo-4-methylthiophene-2-carbonitrile | HCID 21986234 | — |
| Reactant | 7-bromo-5-methyl-5-phenyl-1,5-dihydro-4,1-benzoxazepin-2(3H)-one | HCID 68865156 | — |
| Product | 4-Methyl-5-(5-methyl-2-oxo-5-phenyl-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)thiophene-2-carbonitrile | HCID 11485625 | — |
Reaction Steps
Prepared from 7-bromo-5-methyl-5-phenyl-1,5-dihydro-4,1-benzoxazepin-2(3H)-one and 5-bromo-4-methyl-thiophene-2-carbonitrile using the coupling procedures of examples 82 and 1. 1H-NMR (DMSO-d6) δ 10.15 (s, 1H), 7.85 (s, 1H), 7.49 (m, 1H), 7.38-7.21 (m, 7H), 4.29 (d, J=15.19 Hz, 1H), 4.04 (d, J=15.05 Hz, 1H), 2.22, (s, 3H), 1.93 (s, 3H); MS (ES) m/z 375 ([M+H]+, 100%).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07323455B2 |
| Source dataset | uspto-grants-2008_01 |
| ORD ID | ord-a9e78197a26142e4ae6683a98b2cd941 |
| Source note | uspto-grants-2008_01 |