Hydrochloric Acid → HCID 131729417, 화합물
반응식
[C:1]([C:5]1[CH:9]=[C:8]([NH:10][C:11]([NH:13][C:14]2[CH:30]=[CH:29][C:17]([O:18][C:19]3[CH:24]=[CH:23][N:22]=[C:21]([C:25]([NH:27][CH3:28])=[O:26])[CH:20]=3)=[CH:16][C:15]=2[F:31])=[O:12])[N:7]([C:32]2[CH:37]=[CH:36][CH:35]=[C:34]([CH2:38][OH:39])[CH:33]=2)[N:6]=1)([CH3:4])([CH3:3])[CH3:2].[ClH:40]>O1CCOCC1>[ClH:40].[ClH:40].[C:1]([C:5]1[CH:9]=[C:8]([NH:10][C:11]([NH:13][C:14]2[CH:30]=[CH:29][C:17]([O:18][C:19]3[CH:24]=[CH:23][N:22]=[C:21]([C:25]([NH:27][CH3:28])=[O:26])[CH:20]=3)=[CH:16][C:15]=2[F:31])=[O:12])[N:7]([C:32]2[CH:37]=[CH:36][CH:35]=[C:34]([CH2:38][OH:39])[CH:33]=2)[N:6]=1)([CH3:4])([CH3:2])[CH3:3]참가 물질
4
실험 절차
To a solution of (4-{4-[({3-tert-butyl-1-[3-(hydroxymethyl)phenyl]-1H-pyrazol-5-yl}carbamoyl)amino]-3-fluorophenoxy}-N-methylpyridine-2-carboxamide, 220 mg, 0.41 mmol) in 1,4-dioxane (10 mL) was dropwise added hydrochloric acid (30 mg, 0.82 mmol). The precipitate that formed was filtered and washed with dioxane, followed by hexanes. The solid was then recrystallized from dioxane/methanol to give the desired product salt as a white powder (240 mg, 95%). MS m/z 533.3 (M+H)+; calcd. mass 532. Retention time (LC-MS): 3.13 min. 1H-NMR (DMSO-d6): δ 9.10 (s, broad, 1H); 8.97 (s, 1H); 8.87 (m, 1H); 8.53 (d, J=5.6 Hz, 1H); 8.21 (t, 1H); 7.50 (m, 3H); 7.39 (m, 2H); 7.33 (m, 1H); 7.20 (m, 1H); 7.06 (m, 1H); 6.39 (s, 1H); 4.58 (s, 2H); 2.79 (d, J=4.8 Hz, 3H); 1.27 (s, 9H).