HRID1082243

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID18700387

未命名化合物

结构：CCCN1C(=O)c2ccccc2C1C(CC=O)c1ccc(Cl)c(Cl)c1

HCID21839941

未命名化合物

PRODUCTS

生成物

结构：CCCN1C(=O)c2ccccc2C1C(CCN1CCC(c2ccccc2S(C)=O)CC1)c1ccc(Cl)c(Cl)c1.Cl

HCID21839814

未命名化合物

收率 46.5%

PROCEDURE

实验过程

A solution of 3-(3,4-dichlorophenyl)-3-(2-propyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)propionaldehyde (0.235 g) was treated with 4-(2-methylsulfinylphenyl)piperidine (0.236 g) as described in Example 8. The resulting material was purified by chromatography and was transformed into the hydrochloride to afford the title compound (0.09 g); mp 78°-85° C. (dec); MS: m/z=583(M+1); NMR(CD3OD): 0.92 (m,3), 1.5-4.3 (m,21), 4.98-5.04 (m, 1), 7.27 (m,11). Analysis for C32H36Cl2N2O2S·1.0 HCl·0.5 H2O: Calculated: C, 61.09; H, 6.08; N, 4.45; Found: C, 60.78; H, 5.68; N, 4.67.

WORKUP

后处理

customThe resulting material was purified by chromatography

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd690541546f4cb9ae0707bd356f5e24
来源数据集: uspto-grants-1996_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05589489
来源说明: uspto-grants-1996_12

反应 SMILES

[Cl:1][C:2]1[CH:3]=[C:4]([CH:9]([CH:13]2[C:21]3[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=3)[C:15](=[O:22])[N:14]2[CH2:23][CH2:24][CH3:25])[CH2:10][CH:11]=O)[CH:5]=[CH:6][C:7]=1[Cl:8].[CH3:26][S:27]([C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][C:30]=1[CH:35]1[CH2:40][CH2:39][NH:38][CH2:37][CH2:36]1)=[O:28]>>[ClH:1].[Cl:1][C:2]1[CH:3]=[C:4]([CH:9]([CH:13]2[C:21]3[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=3)[C:15](=[O:22])[N:14]2[CH2:23][CH2:24][CH3:25])[CH2:10][CH2:11][N:38]2[CH2:39][CH2:40][CH:35]([C:30]3[CH:31]=[CH:32][CH:33]=[CH:34][C:29]=3[S:27]([CH3:26])=[O:28])[CH2:36][CH2:37]2)[CH:5]=[CH:6][C:7]=1[Cl:8]