HRID2223898

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14289

Isothiocyanocyclohexane

C7H11NS

结构：Cc1ccc(N(C(=O)c2ccco2)C2CCN(CCCc3ccccc3N)CC2)cc1

HCID59714960

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(N(C(=O)c2ccco2)C2CCN(CCCc3ccccc3NC(=S)NC3CCCCC3)CC2)cc1

HCID59715053

未命名化合物

收率 43.7%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID11

1,2-Dichloroethane

C2H4Cl2

PROCEDURE

实验过程

To a solution of N-[1-[3-(2-aminophenyl)propyl]piperidin-4-yl]-N-(p-tolyl)-2-furancarboxamide (0.42 g) dissolved in 1,2-dichloroethane (5 mL) was added cyclohexyl isothiocyanate (0.42 g) at room temperature. The solution was then heated under reflux for 8 hours. The solution was purified by chromatography [silica gel, dichloromethane-methanol-aqueous ammonia (97:3:0.2-95:5:0.3)] to give the title compound (0.2458 g).

WORKUP

后处理

temperatureThe solution was then heated
temperatureunder reflux for 8 hours
customThe solution was purified by chromatography [silica gel, dichloromethane-methanol-aqueous ammonia (97:3:0.2-95:5:0.3)]

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9cc25906e2cb470c99912d56071c4810
来源数据集: uspto-grants-2008_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07375115B2
来源说明: uspto-grants-2008_05

反应 SMILES

[NH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:8][CH2:9][CH2:10][N:11]1[CH2:16][CH2:15][CH:14]([N:17]([C:25]2[CH:30]=[CH:29][C:28]([CH3:31])=[CH:27][CH:26]=2)[C:18]([C:20]2[O:21][CH:22]=[CH:23][CH:24]=2)=[O:19])[CH2:13][CH2:12]1.[CH:32]1([N:38]=[C:39]=[S:40])[CH2:37][CH2:36][CH2:35][CH2:34][CH2:33]1>ClCCCl>[CH:32]1([NH:38][C:39](=[S:40])[NH:1][C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=2[CH2:8][CH2:9][CH2:10][N:11]2[CH2:12][CH2:13][CH:14]([N:17]([C:25]3[CH:26]=[CH:27][C:28]([CH3:31])=[CH:29][CH:30]=3)[C:18]([C:20]3[O:21][CH:22]=[CH:23][CH:24]=3)=[O:19])[CH2:15][CH2:16]2)[CH2:37][CH2:36][CH2:35][CH2:34][CH2:33]1