HRID1503319

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID1140

Toluene

C7H8

反应SMILES：Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12

HCID154257

Bazedoxifene

C30H34N2O3

PRODUCTS

产物

反应SMILES：CC(=O)O.Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12

HCID154256

Bazedoxifene acetate

C32H38N2O5

收率 44.3%

PROCEDURE

实验过程

Bazedoxifene free base (400 mg) and toluene (30 mL) are mixed and stirred for about 10 minutes. Acetic acid (0.17 g) is added slowly through a dropper and the mixture stirred overnight for solid formation. The solid is collected by filtration to afford 200 mg of crystalline bazedoxifene acetate Form D.

WORKUP

后处理

stirringthe mixture stirred overnight for solid formation
filtrationThe solid is collected by filtration

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-694e210bcd174ae888593a0710253c2e
来源数据集: uspto-grants-2015_12
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US09212172B2
来源说明: uspto-grants-2015_12

反应SMILES

[CH3:1][C:2]1[C:3]2[CH:4]=[C:5]([OH:35])[CH:6]=[CH:7][C:8]=2[N:9]([CH2:18][C:19]2[CH:20]=[CH:21][C:22]([O:25][CH2:26][CH2:27][N:28]3[CH2:34][CH2:33][CH2:32][CH2:31][CH2:30][CH2:29]3)=[CH:23][CH:24]=2)[C:10]=1[C:11]1[CH:12]=[CH:13][C:14]([OH:17])=[CH:15][CH:16]=1.C1(C)C=CC=CC=1.[C:43]([OH:46])(=[O:45])[CH3:44]>>[CH3:1][C:2]1[C:3]2[CH:4]=[C:5]([OH:35])[CH:6]=[CH:7][C:8]=2[N:9]([CH2:18][C:19]2[CH:24]=[CH:23][C:22]([O:25][CH2:26][CH2:27][N:28]3[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]3)=[CH:21][CH:20]=2)[C:10]=1[C:11]1[CH:12]=[CH:13][C:14]([OH:17])=[CH:15][CH:16]=1.[CH3:44][C:43]([OH:46])=[O:45]