Sodium Hydroxide → HCID 86700216, 화합물

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[C:1]([O:5][C@@H:6]([C:12]1[C:30]([CH3:31])=[CH:29][C:15]2[N:16]=[C:17]([C:19]3[CH:28]=[CH:27][C:22]4[N:23]([CH3:26])[N:24]=[N:25][C:21]=4[CH:20]=3)[S:18][C:14]=2[C:13]=1[C:32]1[CH:37]=[CH:36][C:35]([Cl:38])=[CH:34][CH:33]=1)[C:7]([O:9]CC)=[O:8])([CH3:4])([CH3:3])[CH3:2].[OH-].[Na+]>C1COCC1.CCO>[C:1]([O:5][C@@H:6]([C:12]1[C:30]([CH3:31])=[CH:29][C:15]2[N:16]=[C:17]([C:19]3[CH:28]=[CH:27][C:22]4[N:23]([CH3:26])[N:24]=[N:25][C:21]=4[CH:20]=3)[S:18][C:14]=2[C:13]=1[C:32]1[CH:33]=[CH:34][C:35]([Cl:38])=[CH:36][CH:37]=1)[C:7]([OH:9])=[O:8])([CH3:4])([CH3:2])[CH3:3]

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온도: 50 °C

실험 절차

To a vial was dissolved (S)-ethyl 2-tert-butoxy-2-(7-(4-chlorophenyl)-5-methyl-2-(1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)benzo[d]thiazol-6-yl)acetate (100 mg, 0.182 mmol) in THF (3 mL) and EtOH (1.5 mL). 1M NaOH (1.5 mL) was added, and the mixture was heated to 50° C. overnight. The reaction was cooled to 23° C., and filtered (0.45 micron teflon syringe filter). The filtrate was purified by reverse phase HPLC, eluting with 5-100% acetonitrile in H2O with 0.1% TFA to give the desired product. LCMS-ESI+: calc'd for C27H26ClN4O3S: 521.0 (M+H+); Found: 521.2 (M+H+). 1H NMR (400 MHz, CD3OD) δ 8.60 (s, 1H), 8.26 (dd, J=8.8, 1.5 Hz, 1H), 7.87 (d, J=9.0 Hz, 2H), 7.70 (dd, J=7.4, 2.4 Hz, 1H), 7.65-7.56 (m, 3H), 5.26 (s, 1H), 4.35 (s, 3H), 2.62 (s, 3H), 0.98 (s, 9H).