HRID391168

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8303

1,1,1,3,3,3-Hexachloro-2-propanone

C3Cl6O

HCID11776

Triphenylphosphine

C18H15P

结构：CC(C)(C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)[C@H]5C[C@H]5[C@H]4[C@@H]3[C@@H](O)[C@H]3O[C@]32C1

HCID13075958

5beta,6beta-Epoxy-7beta-hydroxy-15beta,16beta-methylene-3beta-pivaloyloxy-5 beta-androstan-17-one

C25H36O5

PRODUCTS

生成物

结构：CC(C)(C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)[C@H]5C[C@H]5[C@H]4[C@@H]3[C@H](Cl)[C@H]3O[C@]32C1

HCID13075960

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

CONDITIONS

反应条件

温度: 12.5 °C

PROCEDURE

实验过程

reaction of compound 2 with hexachloroacetone in dichloromethane added with triphenylphosphine at a temperature of 0-5° C. followed by heating to 10-15° C., to yield 7α-chloro-5,6β-epoxy-15β,16β-methylen-3β-pivaloyloxy-5β-androstan-17-one 3:

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-226c6300fa36463398b09b01d9934d6c
来源数据集: uspto-grants-2013_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08383809B2
来源说明: uspto-grants-2013_02

反应 SMILES

[O:1]1[C@@H:3]2[C@H:4](O)[C@@H:5]3[C@@H:14]([C@@:15]4([CH3:27])[CH2:16][CH2:17][C@H:18]([O:20][C:21](=[O:26])[C:22]([CH3:25])([CH3:24])[CH3:23])[CH2:19][C@@:2]124)[CH2:13][CH2:12][C@@:10]1([CH3:11])[C@H:6]3[C@@H:7]2[CH2:29][C@@H:8]2[C:9]1=[O:28].[Cl:31]C(Cl)(Cl)C(C(Cl)(Cl)Cl)=O.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>ClCCl>[Cl:31][C@@H:4]1[C@H:3]2[O:1][C@:2]32[C@:15]([CH3:27])([CH2:16][CH2:17][C@H:18]([O:20][C:21](=[O:26])[C:22]([CH3:25])([CH3:24])[CH3:23])[CH2:19]3)[C@@H:14]2[C@@H:5]1[C@H:6]1[C@@:10]([CH2:12][CH2:13]2)([CH3:11])[C:9](=[O:28])[C@H:8]2[CH2:29][C@@H:7]12