HRID1412245

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCCCC(=O)C(Cc1ccc(-c2ccccc2C#N)cc1)C(=O)OC

HCID10807723

未命名化合物

HCID178420920

未命名化合物

PRODUCTS

生成物

结构：CCCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC3(CC2)OCCO3)c2ncnn12

HCID67009536

未命名化合物

收率 53.5%

CONDITIONS

反应条件

温度: 250 °C

PROCEDURE

实验过程

A mixture of methyl 2-[(2′-cyanobiphenyl-4-yl)methyl]-3-oxoheptanoate (1.9 g) and N-(1,4-dioxaspiro[4.5]dec-8-yl)-4H-1,2,4-triazol-3-amine (0.6 g) was stirred at 250° C. for 20 min under microwave irradiation. The obtained reaction mixture was purified by silica gel column chromatography to give the title compound as a colorless solid (0.75 g, 53%).

WORKUP

后处理

customThe obtained reaction mixture
customwas purified by silica gel column chromatography

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2de81a6f713d48a8937e0e36048e159e
来源数据集: uspto-grants-2014_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08921379B2
来源说明: uspto-grants-2014_12

反应 SMILES

[C:1]([C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[C:9]1[CH:14]=[CH:13][C:12]([CH2:15][CH:16]([C:21](=O)[CH2:22][CH2:23][CH2:24][CH3:25])[C:17](OC)=[O:18])=[CH:11][CH:10]=1)#[N:2].[O:27]1[C:31]2([CH2:36][CH2:35][CH:34]([NH:37][C:38]3[NH:42][CH:41]=[N:40][N:39]=3)[CH2:33][CH2:32]2)[O:30][CH2:29][CH2:28]1>>[CH2:22]([C:21]1[N:39]2[N:40]=[CH:41][N:42]=[C:38]2[N:37]([CH:34]2[CH2:33][CH2:32][C:31]3([O:27][CH2:28][CH2:29][O:30]3)[CH2:36][CH2:35]2)[C:17](=[O:18])[C:16]=1[CH2:15][C:12]1[CH:11]=[CH:10][C:9]([C:4]2[C:3]([C:1]#[N:2])=[CH:8][CH:7]=[CH:6][CH:5]=2)=[CH:14][CH:13]=1)[CH2:23][CH2:24][CH3:25]