HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Isocyanatoisoquinoline → N-[4-(1-azepanyl)-3-fluorobenzyl]-N'-(3-methyl-5-isoquinolinyl)urea
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 5-Isocyanatoisoquinoline | HCID 11586357 | — |
| Reactant | 5-Isocyanato-3-methylisoquinoline | HCID 22228382 | — |
| Reactant | 4-(1-Azepanyl)-3-fluorobenzylamine | HCID 22337567 | — |
| Product | N-[4-(1-azepanyl)-3-fluorobenzyl]-N'-(3-methyl-5-isoquinolinyl)urea | HCID 10092755 | — |
Reaction Steps
The title compound was prepared using the procedure described in Example 61B using 4-(1-azepanyl)-3-fluorobenzylamine and the product from Example 154A instead of 4-cyanobenzyl alcohol and the product from Example 61A. 1H NMR (300 MHz, DMSO-d6) δ 9.74 (s, 1H), 8.50 (s, 1H), 8.67 (s, 1H), 8.60 (d, 1H, J=8.1 Hz), 8.14 (d, 1H, J=8.1 Hz), 7.83 (t, 1H, J=8.1 Hz), 7.56 (t, 1H), 7.04 (m, 2H), 6.90 (m, 1H), 4.26 (d, 2H, J=6 Hz), 3.32 (m, 4H), 2.79 (s, 3H), 1.75 (m, 4H), 1.55 (m, 4H); MS (ESI) 407 (M+H)+; Anal. Calcd for C24H27FN4O.2HCl: C, 60.13; H, 6.10; N, 11.69. Found: C, 60.09; H, 6.35; N, 11.47.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07335678B2 |
| Source dataset | uspto-grants-2008_02 |
| ORD ID | ord-6ac8cc473795436cb4c92a73ccb61b29 |
| Source note | uspto-grants-2008_02 |