HRID1275965

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3939

Lithium hydroxide anhydrous

HLiO

结构：CCCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCCO)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2

HCID178103

Enrasentan

C29H30O8

HCID21226206

未命名化合物

PRODUCTS

生成物

结构：CCCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCCO)[C@H](C(=O)OC)[C@H]2c1ccc2c(c1)OCO2

HCID15886605

未命名化合物

PROCEDURE

实验过程

This intermediate was isolated by flash column chromatography (SiO2, EtOAc/Hexane=30/70) of a sample of the crude reaction mixture from the preparation of (1S, 2R, 3S)-3-[2-(2-Hydroxyeth-1-yloxy)-4-methoxyphenyl)-1-(3,4-methylendioxyphenyl)-5-propoxyindane-2-carboxylic acid described above prior to the saponification with lithium hydroxide.

WORKUP

后处理

customreaction mixture

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ca1b2eb138147c1a655f5e1ecc528f3
来源数据集: uspto-grants-2000_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06162932
来源说明: uspto-grants-2000_12

反应 SMILES

[OH:1][CH2:2][CH2:3][O:4][C:5]1[CH:10]=[C:9]([O:11][CH3:12])[CH:8]=[CH:7][C:6]=1[C@@H:13]1[C:21]2[C:16](=[CH:17][CH:18]=[C:19]([O:22][CH2:23][CH2:24][CH3:25])[CH:20]=2)[C@H:15]([C:26]2[CH:31]=[CH:30][C:29]3[O:32][CH2:33][O:34][C:28]=3[CH:27]=2)[C@H:14]1[C:35]([OH:37])=[O:36].[OH-].[Li+].[CH3:40]COC(C)=O.CCCCCC>>[CH3:40][O:36][C:35]([C@H:14]1[C@H:13]([C:6]2[CH:7]=[CH:8][C:9]([O:11][CH3:12])=[CH:10][C:5]=2[O:4][CH2:3][CH2:2][OH:1])[C:21]2[C:16](=[CH:17][CH:18]=[C:19]([O:22][CH2:23][CH2:24][CH3:25])[CH:20]=2)[C@@H:15]1[C:26]1[CH:31]=[CH:30][C:29]2[O:32][CH2:33][O:34][C:28]=2[CH:27]=1)=[O:37]