HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(Trifluoromethylthio)benzylamine → 2-(5-isoquinolinyl)-2-methyl-N-{4-[(trifluoromethyl)thio]benzyl}propanamide
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 4-(Trifluoromethylthio)benzylamine | HCID 2777875 | — |
| Reactant | 2-(Isoquinolin-5-YL)acetic acid | HCID 12018708 | — |
| Reactant | 2-(Isoquinolin-5-yl)-2-methylpropanoic acid | HCID 22337613 | — |
| Reactant | 2,3-Difluoro-4-(trifluoromethyl)benzenemethanamine | HCID 22337617 | — |
| Product | 2-(5-isoquinolinyl)-2-methyl-N-{4-[(trifluoromethyl)thio]benzyl}propanamide | HCID 22032662 | — |
Reaction Steps
The title compound was prepared using the procedure described in Example 222B using 4-[(trifluoromethyl)thio]benzylamine and 2-(5-isoquinolinyl)-2-methylpropanoic acid instead of 4-(trifluoromethoxy)benzylamine and 5-isoquinolinylacetic acid. MS (ESI+) m/z 405 (M+H)+; MS (ESI−) m/z 403 (M−H)−; 1H NMR (DMSO, 300 MHz) δ 1.57 (s, 3H), 1.64 (s, 3H), 4.33 (d, J 6.1, 2H), 6.57 (s, 1H), 7.18 (m, 1H), 7.33(m, 1H), 7.52 (m, 2H), 7.82 (m, 1H), 8.11 (m, 1H), 8.36 (d, J 7.8, 1H), 8.57 (m, 1H), 9.42 (s, 1H), 10.08 (s, 1H); Anal. Calcd for C21H19F3N2OS+2 HCl: C, 52.84; H, 4.43. Found: C, 52.66; H, 4.39.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07335678B2 |
| Source dataset | uspto-grants-2008_02 |
| ORD ID | ord-fb04c4b0e3524dc9890e5c4a298a716c |
| Source note | uspto-grants-2008_02 |