HRID390633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID160602

Phenylethyl isocyanate

C9H9NO

$结构：CCCCOc1cc(/C=C(\OCC)C(=O)OC)ccc1-c1cccc(NC)c1$

HCID86626091

未命名化合物

PRODUCTS

生成物

$结构：CCCCOc1cc(/C=C(\OCC)C(=O)OC)ccc1-c1cccc(N(C)C(=O)NCCc2ccccc2)c1$

HCID86626092

未命名化合物

收率 75.4%

PROCEDURE

实验过程

40 mg (0.1 mmol) of methyl (Z)-3-(2-butoxy-3′-methylaminobiphenyl-4-yl)-2-ethoxyacrylate and 16 mg (0.11 mmol) phenethyl isocyanate are heated at 85° C. by microwave in an Emrys Optimizer machine for 20 minutes. The residue obtained is purified by chromatography on a column of silica eluted with a 95/5 and then 90/10 heptane/ethyl acetate mixture. 40 mg (72%) of methyl (Z)-3-[2-butoxy-3′-(1-methyl-3-phenethylureido)biphenyl-4-yl]-2-ethoxyacrylate are obtained.

WORKUP

后处理

customThe residue obtained
customis purified by chromatography on a column of silica
washeluted with a 95/5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-658eb63e616e486d97fc242f9f5c165e
来源数据集: uspto-grants-2013_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08383652B2
来源说明: uspto-grants-2013_02

反应 SMILES

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