HRID2351904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6871

Diethyl ethoxymethylenemalonate

C10H16O5

反应SMILES：CCOC(=O)N1CCN(c2c(F)cc([N+](=O)[O-])c(NC3CC3)c2C)CC1

HCID15622529

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)C(=CN(c1c([N+](=O)[O-])cc(F)c(N2CCN(C(=O)OCC)CC2)c1C)C1CC1)C(=O)OCC

HCID15631832

未命名化合物

收率 51.9%

PROCEDURE

实验过程

To N-cyclopropyl-2-methyl-3-(4-ethoxycarbonyl-1-piperazinyl)-4-fluoro-6-nitroaniline (7.1 g) is added diethyl ethoxymethylenemalonate (4.6 g), and the mixture is reacted at 150°-170° C. for 17 hours. After cooling, the solvent is distilled off, and the resulting residue is subjected to silica gel column chromatography (solvent, dichloromethane:n-hexane=2:1 dichloromethane) to give diethyl [N-cyclopropyl-N-[3-(4-ethoxycarbonyl-1-piperazinyl)-2-methyl-4-fluoro-6-nitrophenyl]aminomethylene]malonate (5.4 g).

WORKUP

后处理

customthe mixture is reacted at 150°-170° C. for 17 hours
temperatureAfter cooling
distillationthe solvent is distilled off

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e7c8ee9882024b93bdf36cc8b15d59a1
来源数据集: uspto-grants-1989_10
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US04874764
来源说明: uspto-grants-1989_10

反应SMILES

[CH:1]1([NH:4][C:5]2[C:10]([N+:11]([O-:13])=[O:12])=[CH:9][C:8]([F:14])=[C:7]([N:15]3[CH2:20][CH2:19][N:18]([C:21]([O:23][CH2:24][CH3:25])=[O:22])[CH2:17][CH2:16]3)[C:6]=2[CH3:26])[CH2:3][CH2:2]1.C(O[CH:30]=[C:31]([C:37]([O:39][CH2:40][CH3:41])=[O:38])[C:32]([O:34][CH2:35][CH3:36])=[O:33])C>>[CH:1]1([N:4]([CH:30]=[C:31]([C:32]([O:34][CH2:35][CH3:36])=[O:33])[C:37]([O:39][CH2:40][CH3:41])=[O:38])[C:5]2[C:10]([N+:11]([O-:13])=[O:12])=[CH:9][C:8]([F:14])=[C:7]([N:15]3[CH2:20][CH2:19][N:18]([C:21]([O:23][CH2:24][CH3:25])=[O:22])[CH2:17][CH2:16]3)[C:6]=2[CH3:26])[CH2:2][CH2:3]1