HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Fluoro-4-(isocyanatomethyl)benzene → 1-(4-Fluorobenzyl)-3-{6-[4-(2-trifluoromethylbenzoyl)piperazin-1-YL]-pyridazin-3-YL}urea
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 1-Fluoro-4-(isocyanatomethyl)benzene | HCID 2733376 | — |
| Reactant | [4-(6-Aminopyridazin-3-yl)piperazin-1-yl](2-trifluoromethylphenyl)methanone | HCID 66849536 | — |
| Product | 1-(4-Fluorobenzyl)-3-{6-[4-(2-trifluoromethylbenzoyl)piperazin-1-YL]-pyridazin-3-YL}urea | HCID 11785355 | — |
Reaction Steps
Following the procedure of Example 5, making variations only as required to use 4-fluorobenzylisocyanate in place of (2-isocyanatocyclopropyl)benzene to react with [4-(6-aminopyridazin-3-yl)piperazin-1-yl](2-trifluoromethylphenyl)-methanone, the title compound was obtained as a white solid (56% yield). 1H NMR (500 MHz, CDCl3) δ 8.13, 7.78, 7.66, 7.60, 7.33, 7.21, 7.09, 6.83, 4.50, 3.91-4.00, 3.73-3.80, 3.34-3.48, 3.05-3.22. MS (ES+) m/z 503 (M+1).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07759348B2 |
| Source dataset | uspto-grants-2010_07 |
| ORD ID | ord-5f43865e1b8549579fa317d32df0a68b |
| Source note | uspto-grants-2010_07 |