HRID18178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N1CCN(c2cccc3c(Cc4ccccc4)c(C(=O)OCc4ccccc4)n(C(=O)OC(C)(C)C)c23)CC1

HCID68586820

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2cccc3c(Cc4ccccc4)c(C(=O)O)n(C(=O)OC(C)(C)C)c23)CC1

HCID68585360

未命名化合物

收率 84%

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID23938

Palladium

溶剂HCID702

Ethanol

C2H6O

PROCEDURE

实验过程

3-Benzyl-7-(4-tert-butoxycarbonyl-piperazin-1-yl)-indole-1,2-dicarboxylic acid 2-benzyl ester 1-tert-butyl ester (100 mg, 0.16 mmol) in EtOH (20 ml) was added to a Parr vessel containing catalytic amount of 5% Pd on carbon. The vessel was purged with 2.76 Bar of hydrogen After shaking for one hour, the reaction mixture was filtered through Celite and concentrated under reduced pressure to give 3-benzyl-7-(4-tert-butoxycarbonyl-piperazin-1-yl)-indole-1,2-dicarboxylic acid 1-tert-butyl ester (72 mg, 84%). MS: (M+H)+ 536.4.

WORKUP

后处理

customThe vessel was purged with 2.76 Bar of hydrogen
filtrationthe reaction mixture was filtered through Celite
concentrationconcentrated under reduced pressure

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d72b4807d201418c8b6c336f5abe5038
来源数据集: uspto-grants-2010_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07741326B2
来源说明: uspto-grants-2010_06

反应 SMILES

[C:1]([O:5][C:6]([N:8]1[C:16]2[C:11](=[CH:12][CH:13]=[CH:14][C:15]=2[N:17]2[CH2:22][CH2:21][N:20]([C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])[CH2:19][CH2:18]2)[C:10]([CH2:30][C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)=[C:9]1[C:37]([O:39]CC1C=CC=CC=1)=[O:38])=[O:7])([CH3:4])([CH3:3])[CH3:2]>CCO.[Pd]>[C:1]([O:5][C:6]([N:8]1[C:16]2[C:11](=[CH:12][CH:13]=[CH:14][C:15]=2[N:17]2[CH2:18][CH2:19][N:20]([C:23]([O:25][C:26]([CH3:28])([CH3:29])[CH3:27])=[O:24])[CH2:21][CH2:22]2)[C:10]([CH2:30][C:31]2[CH:32]=[CH:33][CH:34]=[CH:35][CH:36]=2)=[C:9]1[C:37]([OH:39])=[O:38])=[O:7])([CH3:2])([CH3:3])[CH3:4]