HRID1416743

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID141981

Acetic acid, bromo-, propyl ester

C5H9BrO2

结构：CC(Cc1ccc2c(c1)OC(C(=O)O)(C(=O)O)O2)N(CC(O)c1cccc(Cl)c1)C(=O)OC(C)(C)C

HCID53818918

未命名化合物

PRODUCTS

生成物

结构：CCCOC(=O)C(OC(=O)C1(C(=O)O)Oc2ccc(CC(C)N(CC(O)c3cccc(Cl)c3)C(=O)OC(C)(C)C)cc2O1)C(=O)OCCC

HCID54308423

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from 5-(2-{tert-butoxycarbonyl-[2-(3-chloro-phenyl)-2-hydroxy-ethyl]-amino}-propyl)-benzo[1,3]dioxole-2,2-dicarboxylic acid and propyl 2-bromoacetate according to the procedure of Example 24, step 3 as a colorless oil: 1H NMR (300 MHz, CDCl3): δ 0.91 (t, J=7.4 Hz, 6H), 1.21 (d, J=6.9 Hz, 3H), 1.40 (s, 9H), 1.55-1.72 (m, 4H), 2.47-2.70 (m, 1H), 3.05-3.17 (m, 1H), 3.46-3.60 (m, 1H), 4.11 (t, J=6.6 Hz, 4H), 4.70-4.85 (m, 4H), 5.47 (s, 1H), 6.60-6.92 (m, 3H), 7.20-7.35 (m, 3H), 7.41 (s, 1H); MS (ES) m/z (relative intensity): 722 (M+, 100).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eeaa4d59d0ff452281a0c15d7ee7fee4
来源数据集: uspto-grants-1999_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05914339
来源说明: uspto-grants-1999_06

反应 SMILES

[C:1]([O:5][C:6]([N:8]([CH2:27][CH:28]([C:30]1[CH:35]=[CH:34][CH:33]=[C:32]([Cl:36])[CH:31]=1)[OH:29])[CH:9]([CH3:26])[CH2:10][C:11]1[CH:25]=[CH:24][C:14]2[O:15][C:16]([C:21]([OH:23])=[O:22])([C:18]([OH:20])=[O:19])[O:17][C:13]=2[CH:12]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].Br[CH2:38][C:39]([O:41][CH2:42][CH2:43][CH3:44])=[O:40]>>[CH2:42]([O:41][C:39]([CH:38]([O:19][C:18]([C:16]1([C:21]([OH:23])=[O:22])[O:15][C:14]2[CH:24]=[CH:25][C:11]([CH2:10][CH:9]([N:8]([C:6]([O:5][C:1]([CH3:2])([CH3:3])[CH3:4])=[O:7])[CH2:27][CH:28]([C:30]3[CH:35]=[CH:34][CH:33]=[C:32]([Cl:36])[CH:31]=3)[OH:29])[CH3:26])=[CH:12][C:13]=2[O:17]1)=[O:20])[C:16]([O:15][CH2:14][CH2:13][CH3:12])=[O:17])=[O:40])[CH2:43][CH3:44]