HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Bromobenzyl isocyanate → N-(4-bromobenzyl)-N'-(1,3-dimethyl-5-isoquinolinyl)urea
Beteiligte Stoffe
| Rolle | Name | HCID | Einwaage |
|---|---|---|---|
| Edukt | 4-Bromobenzyl isocyanate | HCID 4374617 | — |
| Edukt | 1,3-Dimethylisoquinolin-5-amine | HCID 22337624 | — |
| Lösungsmittel | Toluene | HCID 1140 | — |
| Produkt | N-(4-bromobenzyl)-N'-(1,3-dimethyl-5-isoquinolinyl)urea | HCID 11740716 | — |
Reaktionsbedingungen
| Temperatur | 87.5 °C |
|---|
Reaktionsschritte
The product from Example 178A (375 mg, 2.2 mmol) in toluene (7 mL) was treated with 1-bromo-4-(isocyanatomethyl)benzene (0.31 mL, 2.2 mmol). After stirring at 85-90° C. for 3 hours, the mixture was cooled to room temperature and filtered. The filter cake was treated with methanolic HCl to provide the title compound as the hydrochloride salt. 1H NMR (300 MHz, DMSO-d6) δ 8.62 (s, 1H), 8.17 (d, 1H, J=7.8 Hz), 7.80 (d, 1H, J=8.5 Hz), 7.45-7.60 (m, 4H), 7.32 (d, 2H, J=8.1 Hz), 7.06 (t, 1H, 5.7 Hz), 4.34 (d, 2H, 5.8 Hz), 2.84 (s, 3H), 2.75 (s, 3H); MS (ESI+) m/z 383/385 (M+H, 79Br/81Br).
Herkunft & Nachweise
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patentnummer | US06933311B2 |
| Quelldatensatz | uspto-grants-2005_08 |
| ORD ID | ord-db9150ea86aa433e8c1de95b85530479 |
| Quellennotiz | uspto-grants-2005_08 |