HRID420386

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734371

3,4-METHYLENEDIOXYPHENYLBORONIC ACID

C7H7BO4

结构：CCOC(=O)CCCOc1cccc(CCCCCCOc2cc(I)cc([N+](=O)[O-])c2)c1CCC(=O)OCC

HCID57586452

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc4c(c3)OCO4)cc([N+](=O)[O-])c2)c1CCC(=O)OCC

HCID57586471

未命名化合物

收率 73.4%

PROCEDURE

实验过程

A similar procedure as described in Example 12, step 8 was used, starting from 4-{2-(2-ethoxycarbonyl-ethyl)-3-[6-(3-iodo-5-nitro-phenoxy)-hexyl]-phenoxy}-butyric acid ethyl ester (6.6 g, 10.07 mmol) and benzo[1,3]dioxol-5-yl-boronic acid (3.45 g, 20.14 mmol) to afford 4-{3-[6-(3-benzo[1,3]dioxol-5-yl-5-nitro-phenoxy)-hexyl]-2-(2-ethoxycarbonyl-ethyl)-phenoxy}-butyric acid ethyl ester (4.8 g, 73%) as a light yellow oil: EI(+)-HRMS m/e calculated for C36H43NO10 (M+Na)+ 672.2779, found 672.2773.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49b89521584a4d3ca7a46c723b7179d2
来源数据集: uspto-grants-2012_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08093385B2
来源说明: uspto-grants-2012_01

反应 SMILES

[CH2:1]([O:3][C:4](=[O:39])[CH2:5][CH2:6][CH2:7][O:8][C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][O:21][C:22]2[CH:27]=[C:26]([N+:28]([O-:30])=[O:29])[CH:25]=[C:24](I)[CH:23]=2)[C:10]=1[CH2:32][CH2:33][C:34]([O:36][CH2:37][CH3:38])=[O:35])[CH3:2].[O:40]1[C:44]2[CH:45]=[CH:46][C:47](B(O)O)=[CH:48][C:43]=2[O:42][CH2:41]1>>[CH2:1]([O:3][C:4](=[O:39])[CH2:5][CH2:6][CH2:7][O:8][C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][O:21][C:22]2[CH:27]=[C:26]([N+:28]([O-:30])=[O:29])[CH:25]=[C:24]([C:47]3[CH:46]=[CH:45][C:44]4[O:40][CH2:41][O:42][C:43]=4[CH:48]=3)[CH:23]=2)[C:10]=1[CH2:32][CH2:33][C:34]([O:36][CH2:37][CH3:38])=[O:35])[CH3:2]