HRID483199

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID643918

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

C5H9NO2

HCID10108340

未命名化合物

HCID12248972

3-CHLORO-2-NITROBENZALDEHYDE

C7H4ClNO3

PRODUCTS

生成物

结构：COC(=O)C1=CNC(C)(C)C(C(=O)OCC(C)(C)CN(C)Cc2ccccc2)C1c1cccc(Cl)c1[N+](=O)[O-]

HCID70456982

未命名化合物

PROCEDURE

实验过程

A mixture of 185 mg of 3-chloro-2-nitrobenzaldehyde, 118 mg of methyl 3-aminocrotonate and 292 mg of 3-(N-benzyl-N-methylamino)-2,2-dimethylpropyl acetoacetate in 1 ml of 2-propanol was refluxed for 12 hours, and then the solvent was distilled off under reduced pressure. The residue was purified by a method of column chromatography on silica gel to yield 337 mg of the desired compound (132).

WORKUP

后处理

temperaturewas refluxed for 12 hours
distillationthe solvent was distilled off under reduced pressure
customThe residue was purified by a method of column chromatography on silica gel

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c373083ce3d4fbb96d390ffc50abd9a
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:3]([N+:10]([O-:12])=[O:11])=[C:4]([CH:7]=[CH:8][CH:9]=1)[CH:5]=O.[NH2:13]/[C:14](/C)=[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.[CH3:42]C(O)C>>[CH3:25][C:23]1([CH3:42])[CH:22]([C:21]([O:27][CH2:28][C:29]([CH3:41])([CH3:40])[CH2:30][N:31]([CH2:33][C:34]2[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=2)[CH3:32])=[O:26])[CH:5]([C:4]2[CH:7]=[CH:8][CH:9]=[C:2]([Cl:1])[C:3]=2[N+:10]([O-:12])=[O:11])[C:15]([C:16]([O:18][CH3:19])=[O:17])=[CH:14][NH:13]1