HuagongsheHuagongshe Chemistry Print Report · For research reference only
Toluene → N-(8-bromo-5-isoquinolinyl)-N'-(2,4-dichlorobenzyl)urea
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | Toluene | HCID 1140 | — |
| Reactant | 2,4-Dichlorobenzyl isocyanate | HCID 4612708 | — |
| Reactant | 8-Bromoisoquinolin-5-amine | HCID 22032630 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | N-(8-bromo-5-isoquinolinyl)-N'-(2,4-dichlorobenzyl)urea | HCID 10093879 | — |
Reaction Steps
8-Bromo-5-isoquinolinamine (120 mg, 0.52 mmol) in THF:toluene (5 mL, 1:4) was treated with 2,4-dichloro-1-(isocyanatomethyl)benzene (108 mg, 0.52 mmol) in THF (0.5 mL). After stirring for 16 hours at room temperature, the mixture was filtered and the filter cake was dried under reduced pressure to provide the title compound. MS (ESI+) m/z 426 (M+H)+; MS (ESI−) m/z 424 (M−H)−; 1H NMR (DMSO, 300 MHz) δ 4.42 (d, 5.8, 2H), 7.22 (t, J 5.8, 1H), 7.65 (m, 1H), 7.91 (d, J 8.5, 1H), 8.02 (d, J 6.1, 1H), 8.22 (d, J 8.5, 1H), 8.69 (d, J 5.8, 1H), 9.01 (s, 1H), 9.44 (s, 1H); Anal. Calcd for C17H12BrCl2N3O.HCl+0.25EtOH: C, 44.41; H, 3.14; N, 8.88. Found: C, 44.80; H, 2.76; N, 8.84.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07335678B2 |
| Source dataset | uspto-grants-2008_02 |
| ORD ID | ord-bc055c99031e4c87acb3de351c01a231 |
| Source note | uspto-grants-2008_02 |