HRID483201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID643918

2-Butenoic acid, 3-amino-, methyl ester, (2Z)-

C5H9NO2

HCID10108340

未命名化合物

HCID12667713

2-Chloro-3-nitrobenzaldehyde

C7H4ClNO3

PRODUCTS

生成物

结构：COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)(C)CN(C)Cc2ccccc2)C1c1cccc([N+](=O)[O-])c1Cl

HCID10347672

未命名化合物

收率 51.9%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID3776

Isopropanol

C3H8O

PROCEDURE

实验过程

A mixture of 128.7 mg of 2-chloro-3-nitrobenzaldehyde, 88 mg of methyl 3-aminocrotonate and 220 mg of 3-(N-benzyl-N-methylamino)-2,2-dimethylpropyl acetoacetate in 1 ml of 2-propanol was refluxed for 8 hours, and then the solvent was distilled off under reduced pressure. The residue was purified by a column chromatography on silica gel to yield 200 mg of desired compound (136).

WORKUP

后处理

temperaturewas refluxed for 8 hours
distillationthe solvent was distilled off under reduced pressure
customThe residue was purified by a column chromatography on silica gel

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5085f0ec63264fc68ea07d1696a645f9
来源数据集: uspto-grants-1986_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US04578395
来源说明: uspto-grants-1986_03

反应 SMILES

[Cl:1][C:2]1[C:9]([N+:10]([O-:12])=[O:11])=[CH:8][CH:7]=[CH:6][C:3]=1[CH:4]=O.[NH2:13]/[C:14](/[CH3:20])=[CH:15]\[C:16]([O:18][CH3:19])=[O:17].[C:21]([O:27][CH2:28][C:29]([CH3:41])([CH3:40])[CH2:30][N:31]([CH2:33][C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1)[CH3:32])(=[O:26])[CH2:22][C:23]([CH3:25])=O>CC(O)C>[CH3:25][C:23]1[NH:13][C:14]([CH3:20])=[C:15]([C:16]([O:18][CH3:19])=[O:17])[CH:4]([C:3]2[CH:6]=[CH:7][CH:8]=[C:9]([N+:10]([O-:12])=[O:11])[C:2]=2[Cl:1])[C:22]=1[C:21]([O:27][CH2:28][C:29]([CH3:41])([CH3:40])[CH2:30][N:31]([CH2:33][C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1)[CH3:32])=[O:26]