HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2424490Generated: October 27, 2026
Water → 1-(2-Phenylcyclopropyl)-3-{6-[4-(2-trifluoromethylbenzoyl)piperazin-1-YL]pyridazin-3-YL}urea
https://huagongshe.com/reaction/2424490
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Water | HCID 962 | — |
| Reactant | (2-Isocyanatocyclopropyl)benzene | HCID 582709 | — |
| Reactant | [4-(6-Aminopyridazin-3-yl)piperazin-1-yl](2-trifluoromethylphenyl)methanone | HCID 66849536 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | 1-(2-Phenylcyclopropyl)-3-{6-[4-(2-trifluoromethylbenzoyl)piperazin-1-YL]pyridazin-3-YL}urea | HCID 11432216 | 90.7% |
Reaction Steps
To a solution of [4-(6-aminopyridazin-3-yl)piperazin-1-yl](2-trifluoromethyl-phenyl)methanone (123 mg, 0.35 mmol) in DMF (20.0 mL) was added (2-isocyanatocyclopropyl)benzene (111 mg, 0.7 mmol). The mixture was stirred at 60° C. overnight. After cooling, the mixture was poured into water (120 mL). The white solid, which precipitated, was filtered off and dried in vacuum to give the title product (162 mg) as a white solid in 90% yield. 1H NMR (300 MHz, CDCl3) δ 8.01-7.97, 7.73, 7.60, 7.55, 7.32, 7.22-7.10, 7.06, 4.00-3.95, 3.87-3.86, 3.62-3.52, 3.43-3.41, 3.25-3.22, 2.85-2.82, 2.14-2.10, 0.91-0.86. MS (ES+) m/z 511.2 (M+1).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US07964591B2 |
|---|
| Source dataset | uspto-grants-2011_06 |
|---|
| ORD ID | ord-4d3cfee2f95e4b6da520c6e5e0d8a952 |
|---|
| Source note | uspto-grants-2011_06 |
|---|