4-(Trifluoromethylthio)benzylamine → 2-(5-isoquinolinyl)-2-methyl-N-{4-[(trifluoromethyl)thio]benzyl}propanamide

関与物質

役割	名称	HCID	仕込み量
反応物	4-(Trifluoromethylthio)benzylamine	HCID 2777875	—
反応物	2-(Isoquinolin-5-YL)acetic acid	HCID 12018708	—
反応物	2-(Isoquinolin-5-yl)-2-methylpropanoic acid	HCID 22337613	—
生成物	2-(5-isoquinolinyl)-2-methyl-N-{4-[(trifluoromethyl)thio]benzyl}propanamide	HCID 22032662	—

反応手順

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+2HCl: C, 52.84; H, 4.43. Found: C, 52.66; H, 4.39.

情報源と証拠

DOI	10.6084/m9.figshare.5104873.v1
特許番号	US08247413B2
出典データセット	uspto-grants-2012_08
ORD ID	ord-3399d4c03eb14632a837b478d857d717
出典メモ	uspto-grants-2012_08