HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-chloro-3-iodo-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide → 4-Chloro-3-(2-(6-(isopropylamino)pyridazin-3-yl)ethynyl)-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 4-chloro-3-iodo-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide | HCID 71562635 | — |
| Reactant | N-isopropyl-6-ethynylpyridazin-3-amine | HCID 86709557 | — |
| Product | 4-Chloro-3-(2-(6-(isopropylamino)pyridazin-3-yl)ethynyl)-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide | HCID 72949913 | — |
Reaction Steps
The title compound was synthesized from N-isopropyl-6-ethynylpyridazin-3-amine and 4-chloro-3-iodo-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl) benzamide in a manner similar to that described for in Example 1. The product was obtained as a pale yellow solid. Mp:133-134° C.; 1H NMR (300 MHz, CDCl3) δ: 9.62 (1 H, s), 8.11 (1 H, s), 8.05 (1 H, s), 8.01-8.03 (1 H, d, J=9.0 Hz), 7.86-7.88 (1 H, d, J=6.0 Hz), 7.60-7.63 (1 H, d, J=6.0 Hz), 7.44-7.47 (1 H, d, J=9.0 Hz), 7.33-7.36 (1 H, d, J=9.0 Hz), 6.63-6.66 (1 H, d, J=9.0 Hz), 3.99-4.07 (1 H, m), 3.67 (2 H, s), 2.84 (8 H, brs), 2.56 (3 H, s), 1.25-1.30 (6 H, m). HRMS (ESI-TOF+): m/z [M+H]+ calcd for C29H30ClF3N6O: 571.2194. found: 571.2209.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US09174996B2 |
| Source dataset | uspto-grants-2015_11 |
| ORD ID | ord-03b7cbbac43c4812881223d9d0e388f8 |
| Source note | uspto-grants-2015_11 |