HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,2-Dichloro-4-(isocyanatomethyl)benzene → N-[3-fluoro-4-(trifluoromethyl)benzyl]-2-(5-isoquinolinyl)butanamide
Beteiligte Stoffe
| Rolle | Name | HCID | Einwaage |
|---|---|---|---|
| Edukt | 1,2-Dichloro-4-(isocyanatomethyl)benzene | HCID 2733368 | — |
| Edukt | 3-Fluoro-4-(trifluoromethyl)benzylamine | HCID 2737567 | — |
| Edukt | 2-(Isoquinolin-5-YL)acetic acid | HCID 12018708 | — |
| Edukt | 2-(Isoquinolin-5-yl)butanoic acid | HCID 22337682 | — |
| Produkt | N-[3-fluoro-4-(trifluoromethyl)benzyl]-2-(5-isoquinolinyl)butanamide | HCID 22032635 | — |
Reaktionsschritte
The title compound was prepared using the procedure described in Example 222B using 3-fluoro-4-(trifluoromethyl)benzylamine and 2-(5-isoquinolinyl)butanoic acid instead of 4-(trifluoromethoxy)benzylamine and 5-isoquinolinylacetic acid. MS (ESI+) m/z 391 (M+H)+; MS (ESI−) m/z 389 (M−H)−; 1H NMR (DMSO, 300 MHz) δ 0.91 (t, J 7.5, 3H), 1.81 (m, 1H), 2.17 (m, 1H), 4.35 (m, 2H), 7.17 (m, 2H), 7.69 (t, J 7.8, 1H), 7.86 (t, J 7.8, 1H), 8.04 (d, J 7.1, 1H), 8.23 (d, J 8.1, 1H), 8.65 (d, J 6.8, 1H), 8.83 (t, J 6.8, 1H), 9.60 (s, 1H); Anal. Calcd for C21H18F4N2O+1 HCl: C, 54.77; H, 3.80; N, 5.55. Found: C, 54.62; H, 3.57; N, 5.50.
Herkunft & Nachweise
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patentnummer | US07335678B2 |
| Quelldatensatz | uspto-grants-2008_02 |
| ORD ID | ord-3f1fa90e5bb94223a9de3681a80f350f |
| Quellennotiz | uspto-grants-2008_02 |