HRID323880

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID8058

n-Hexane

C6H14

结构：CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O

HCID65366

Baccatin III

C31H38O11

PRODUCTS

生成物

结构：CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](O)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O.CC(C)O

HCID86756610

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

Baccatin III (100 mg, 0.17 mmol) was dissolved in dichloromethane (4 mL). Isopropanol was added (130 uL, 1000%), and the resulting solution was allowed to stir for 1 h. Hexane was added to the cloud point, and crystallization began. The baccatin III, 2-propanol complex (85 mg, 77%) was collected by filtration.

WORKUP

后处理

filtrationThe baccatin III, 2-propanol complex (85 mg, 77%) was collected by filtration

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-faa71747695648ada0aeab7e1000d413
来源数据集: uspto-grants-2001_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06215000B1
来源说明: uspto-grants-2001_04

反应 SMILES

[CH3:1][C:2]1[C@@H:19]([OH:20])[CH2:18][C@:14]2([OH:21])[C:15]([CH3:17])([CH3:16])[C:3]=1[C@@H:4]([O:39][C:40]([CH3:42])=[O:41])[C:5]([C@@:7]1([CH3:38])[C@H:12]([C@@H:13]2[O:22][C:23]([C:25]2[CH:26]=[CH:27][CH:28]=[CH:29][CH:30]=2)=[O:24])[C@:11]2([O:33][C:34]([CH3:36])=[O:35])[CH2:31][O:32][C@@H:10]2[CH2:9][C@@H:8]1[OH:37])=[O:6].[CH:43]([OH:46])([CH3:45])[CH3:44].CCCCCC>ClCCl>[CH3:1][C:2]1[C@@H:19]([OH:20])[CH2:18][C@:14]2([OH:21])[C:15]([CH3:16])([CH3:17])[C:3]=1[C@@H:4]([O:39][C:40]([CH3:42])=[O:41])[C:5]([C@@:7]1([CH3:38])[C@H:12]([C@@H:13]2[O:22][C:23]([C:25]2[CH:26]=[CH:27][CH:28]=[CH:29][CH:30]=2)=[O:24])[C@:11]2([O:33][C:34]([CH3:36])=[O:35])[CH2:31][O:32][C@@H:10]2[CH2:9][C@@H:8]1[OH:37])=[O:6].[CH:43]([OH:46])([CH3:45])[CH3:44]