HRID2251227

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23691861

未命名化合物

结构：CCOc1ccc(S(C)(=O)=O)c(F)c1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2)CC1

HCID69039060

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc(S(C)(=O)=O)c(OC2CCCC2)c1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2)CC1

HCID69040251

未命名化合物

CONDITIONS

反应条件

温度: 80 °C

PROCEDURE

实验过程

0.12 mmol of (6-Ethoxy-2-fluoro-3-methanesulfonyl-phenyl)-[4-(4-methanesulfonyl-phenyl)-piperazin-1-yl]-methanone (example 55) was added to a solution of sodium cyclopentanolate (prepared from 1 mmol sodium dissolved in 1 ml of cyclopentanol). The mixture was heated for 1 hour at 80° C., poured on ice/water and extracted with ethyl acetate. Chromatography (SiO2; ethyl acetate) yielded the title compound as a slightly yellow solid. MS (m/e): 551.1 (MH+, 29%)

WORKUP

后处理

additionpoured on ice/water
extractionextracted with ethyl acetate

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f92f856949e84b8bb64cd6fff51a2409
来源数据集: uspto-grants-2008_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07319099B2
来源说明: uspto-grants-2008_01

反应 SMILES

[CH2:1]([O:3][C:4]1[C:9]([C:10]([N:12]2[CH2:17][CH2:16][N:15]([C:18]3[CH:23]=[CH:22][C:21]([S:24]([CH3:27])(=[O:26])=[O:25])=[CH:20][CH:19]=3)[CH2:14][CH2:13]2)=[O:11])=[C:8](F)[C:7]([S:29]([CH3:32])(=[O:31])=[O:30])=[CH:6][CH:5]=1)[CH3:2].[CH:33]1([O-:38])[CH2:37][CH2:36][CH2:35][CH2:34]1.[Na+]>>[CH:33]1([O:38][C:8]2[C:7]([S:29]([CH3:32])(=[O:30])=[O:31])=[CH:6][CH:5]=[C:4]([O:3][CH2:1][CH3:2])[C:9]=2[C:10]([N:12]2[CH2:13][CH2:14][N:15]([C:18]3[CH:19]=[CH:20][C:21]([S:24]([CH3:27])(=[O:25])=[O:26])=[CH:22][CH:23]=3)[CH2:16][CH2:17]2)=[O:11])[CH2:37][CH2:36][CH2:35][CH2:34]1