HRID1352313

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21100223

未命名化合物

结构：Cl.O=S(=O)(c1ccccc1)c1cnc(N2CCNCC2)s1

HCID67549227

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(OC2CCCC2)c(C(=O)N2CCN(c3ncc(S(=O)(=O)c4ccccc4)s3)CC2)c1

HCID58677834

未命名化合物

收率 57%

PROCEDURE

实验过程

Prepared in analogy to example 1 (b) from 2-cyclopentyloxy-5-methanesulfonyl-benzoic acid (Example A4) and 1-(5-benzenesulfonyl-thiazol-2-yl)-piperazine hydrochloride (Example 4(d)). The crude material was purified by chromatography (SiO2, ethyl acetate/heptane) followed by trituration in ether to yield the title compound as an off-white crystalline solid (yield 57%). MS (m/e): 576.0 (M+H+, 100%), 593.3 (M+NH4+, 94%).

WORKUP

后处理

customThe crude material was purified by chromatography (SiO2, ethyl acetate/heptane)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37814af1ab4c466199c372e1f7932885
来源数据集: uspto-grants-2007_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07220744B2
来源说明: uspto-grants-2007_05

反应 SMILES

[CH:1]1([O:6][C:7]2[CH:15]=[CH:14][C:13]([S:16]([CH3:19])(=[O:18])=[O:17])=[CH:12][C:8]=2[C:9]([OH:11])=O)[CH2:5][CH2:4][CH2:3][CH2:2]1.Cl.[C:21]1([S:27]([C:30]2[S:34][C:33]([N:35]3[CH2:40][CH2:39][NH:38][CH2:37][CH2:36]3)=[N:32][CH:31]=2)(=[O:29])=[O:28])[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1>>[C:21]1([S:27]([C:30]2[S:34][C:33]([N:35]3[CH2:40][CH2:39][N:38]([C:9]([C:8]4[CH:12]=[C:13]([S:16]([CH3:19])(=[O:18])=[O:17])[CH:14]=[CH:15][C:7]=4[O:6][CH:1]4[CH2:2][CH2:3][CH2:4][CH2:5]4)=[O:11])[CH2:37][CH2:36]3)=[N:32][CH:31]=2)(=[O:29])=[O:28])[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1