Hydrochloric Acid → 5-{(2R)-2-[(2R)-2-(3-Chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic aicd bis-(2-methyl-2-nitro-propyl) ester
반응식
[Cl:1][C:2]1[CH:3]=[C:4]([CH:8]([OH:29])[CH2:9][NH:10][CH:11]([CH3:28])[CH2:12][C:13]2[CH:27]=[CH:26][C:16]3[O:17][C:18]([C:23]([OH:25])=[O:24])([C:20]([OH:22])=[O:21])[O:19][C:15]=3[CH:14]=2)[CH:5]=[CH:6][CH:7]=1.[CH3:30][C:31]([N+:35]([O-:37])=[O:36])([CH3:34])[CH2:32]O.[K+].[Br-].Cl>>[CH3:30][C:31]([N+:35]([O-:37])=[O:36])([CH3:34])[CH2:32][O:24][C:23]([C:18]1([C:20]([O:22][CH2:30][C:31]([CH3:34])([N+:35]([O-:37])=[O:36])[CH3:32])=[O:21])[O:17][C:16]2[CH:26]=[CH:27][C:13]([CH2:12][C@H:11]([NH:10][CH2:9][C@@H:8]([C:4]3[CH:5]=[CH:6][CH:7]=[C:2]([Cl:1])[CH:3]=3)[OH:29])[CH3:28])=[CH:14][C:15]=2[O:19]1)=[O:25]참가 물질
반응물 4
생성물 1
실험 절차
The title compound was prepared from 5-{2-[2-(3-chloro-phenyl)-2-hydroxy-ethylamino]-propyl}-benzo[1,3]dioxole-2,2-dicarboxylic acid and 2-methyl-2-nitropropanol according to the procedure of Example 1 as an off-white solid; 1H NMR (DMSO-d6,400 MHz) δ 0.78 (s, 12H, 4×CH3), 0.8-1.0 (m, 4H, CH2), 1-1.2 (m, 11H, cyclohexyl, CH3), 1.5-1.65 (m, 10 H, cyclohexyl), 2.6 (m, 1H, CH), 3-3.3 (m, 3H, CH, CH2), 3.4 (brs, 1H, CH), 4.04 (s, 4H, OCH2, OCH2), 5.05 (m, 1H, CH), 6.35 (d, J=4.17 Hz, 1H, OH), 6.83 (dd, J=7.9, 1.32 Hz, 1H, Ar--H), 7.06 (s 1H, Ar--H), 7.09 (d, J=8.35 Hz), 7.38-7.42 (m, 3H, Ar--H), 7.5 (s, 1H, Ar--H), 8.8 (brs, 1H, NH), 9.4 (brs, 1H, NH); IR (KBr, cm-1) 3400 (OH), 2900 (NH), 1760 (CO); Analysis for: C28H34ClN3O11 ×HCl: Calc'd: C, 50.92; H, 5.34; N, 6.36; Found: C, 50.72; H, 5.42; N, 5.96.
출처 및 근거
- ORD 기록
- ord-ceb90935cf59412faa3156e80dccf3e9
- 출처 데이터셋
- uspto-grants-1999_06
- 특허 번호
- US05914339
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