HRID1663381

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2737224

5-propylcyclohexane-1,3-dione

C9H14O2

$结构：C/C(N)=C\C#N$

HCID5324720

(2E)-3-Amino-2-butenenitrile

C4H6N2

结构：COC(=O)c1cc(C=O)cc(Br)c1OCc1cccc(OC)c1

HCID87399760

未命名化合物

PRODUCTS

生成物

结构：CCCC1CC(=O)C2=C(C1)NC(C)=C(C#N)C2c1cc(Br)c(OCc2cccc(OC)c2)c(C(=O)OC)c1

HCID67435033

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID702

Ethanol

C2H6O

CONDITIONS

反应条件

温度: 80 °C

PROCEDURE

实验过程

A mixture of 3-bromo-5-formyl-2-(3-methoxy-benzyloxy)-benzoic acid methyl ester (3.78 g), 3-aminocrotonitrile (822 mg) and 5-propylcyclohexane-1,3-dione (1535 mg) in ethanol (25 ml) was stirred at 80° C. for 17 h. The mixture was concentrated in vacuo.

WORKUP

后处理

concentrationThe mixture was concentrated in vacuo

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3811951a560c485eaa3826507e8e39ee
来源数据集: uspto-grants-2011_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08034945B2
来源说明: uspto-grants-2011_10

反应 SMILES

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