HRID1352339

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cl.O=S(=O)(c1cccnc1)c1cnc(N2CCNCC2)s1

HCID21100195

未命名化合物

结构：CC(Oc1ccc(S(C)(=O)=O)cc1C(=O)O)C(F)(F)F

HCID21100306

5-(Methylsulfonyl)-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acid

C11H11F3O5S

PRODUCTS

生成物

结构：CC(Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(S(=O)(=O)c3cccnc3)s2)CC1)C(F)(F)F

HCID21100310

未命名化合物

收率 49%

PROCEDURE

实验过程

Prepared in analogy to example 1 (b) from 5-methanesulfonyl-2-(2,2,2-trifluoro-1-methyl-ethoxy)-benzoic acid (Example A2) and 1-[5-(pyridine-3-sulfonyl)-thiazol-2-yl]-piperazine hydrochloride (Example 46(c)). The crude material was purified by chromatography (SiO2, ethyl acetate/heptane) followed by trituration in ether to yield the title compound as a light brown crystalline solid (yield 49%). MS (m/e): 605.2 (M+H+, 100%).

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-07e996d3a10a4eeea4ba733011c4545f
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

[CH3:1][S:2]([C:5]1[CH:6]=[CH:7][C:8]([O:14][CH:15]([CH3:20])[C:16]([F:19])([F:18])[F:17])=[C:9]([CH:13]=1)[C:10]([OH:12])=O)(=[O:4])=[O:3].Cl.[N:22]1[CH:27]=[CH:26][CH:25]=[C:24]([S:28]([C:31]2[S:35][C:34]([N:36]3[CH2:41][CH2:40][NH:39][CH2:38][CH2:37]3)=[N:33][CH:32]=2)(=[O:30])=[O:29])[CH:23]=1>>[CH3:1][S:2]([C:5]1[CH:6]=[CH:7][C:8]([O:14][CH:15]([CH3:20])[C:16]([F:19])([F:18])[F:17])=[C:9]([C:10]([N:39]2[CH2:38][CH2:37][N:36]([C:34]3[S:35][C:31]([S:28]([C:24]4[CH:23]=[N:22][CH:27]=[CH:26][CH:25]=4)(=[O:30])=[O:29])=[CH:32][N:33]=3)[CH2:41][CH2:40]2)=[O:12])[CH:13]=1)(=[O:3])=[O:4]