Hydrochloric Acid → HCID 136367008, 화합물

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[ClH:1].CCOCC.[F:7][C:8]1[CH:13]=[CH:12][CH:11]=[C:10]([OH:14])[C:9]=1[C:15]1[N:24]=[C:23]([N:25]2[CH2:29][CH2:28][C@@H:27]([NH:30][C:31]([CH:33]3[CH2:35][CH2:34]3)=[O:32])[CH2:26]2)[C:22]2[C:17](=[CH:18][C:19]([CH3:36])=[CH:20][CH:21]=2)[N:16]=1>C(Cl)Cl>[ClH:1].[F:7][C:8]1[CH:13]=[CH:12][CH:11]=[C:10]([OH:14])[C:9]=1[C:15]1[N:24]=[C:23]([N:25]2[CH2:29][CH2:28][C@@H:27]([NH:30][C:31]([CH:33]3[CH2:34][CH2:35]3)=[O:32])[CH2:26]2)[C:22]2[C:17](=[CH:18][C:19]([CH3:36])=[CH:20][CH:21]=2)[N:16]=1

참가 물질

실험 절차

A 2 M HCl solution in ether (0.16 mL, 0.32 mmol) was added to a solution of N—((R)-1-(2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl)pyrrolidin-3-yl)cyclopropanecarboxamide (133 mg, 0.32 mmol) in CH2Cl2 (4 mL) under an N2 atmosphere. Additional ether was then added (15 mL) and the reaction mixture was stirred for an hour. The formed precipitate was then filtered and dried to afford N—((R)-1-(2-(2-fluoro-6-hydroxyphenyl)-7-methylquinazolin-4-yl)pyrrolidin-3-yl)cyclopropanecarboxamide hydrochloride (135 mg, 95%). LC/MS: m/z 407.5 (M+H)+ at 2.07 min (10%-99% CH3CN (0.035% TFA)/H2O (0.05% TFA)). 1H NMR (400 MHz, DMSO-d6) δ 8.32 (d, J=7.6 Hz, 1H), 7.56-7.58 (m, 2H), 7.43-7.49 (m, 1H), 6.83-6.88 (m, 2H), 3.94-4.41 (m, 5H), 2.52 (s, 3H), 2.25-2.36 (m, 1H), 1.91-2.13 (m, 1H), 1.47-1.54 (m, 1H), 0.63-0.69 (m, 4H) ppm.