methyl 1-allyl-4'-hydroxy-6,6-dimethyl-1'-(4-methylphenyl)-2,4,5'-trioxo-1,1',2,4,5,5',6,7-octahydrospiro[indole-3,2'-pyrrole]-3'-carboxylate | 1352655-39-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯啉
• 英文名称: methyl 1-allyl-4'-hydroxy-6,6-dimethyl-1'-(4-methylphenyl)-2,4,5'-trioxo-1,1',2,4,5,5',6,7-octahydrospiro[indole-3,2'-pyrrole]-3'-carboxylate
• 英文别名: methyl 4'-hydroxy-6,6-dimethyl-1'-(4-methylphenyl)-2,4,5'-trioxo-1-prop-2-enylspiro[5,7-dihydroindole-3,2'-pyrrole]-3'-carboxylate
• CAS: 1352655-39-0
• 化学式: C₂₅H₂₆N₂O₆
• 分子量: 450.491
• InChiKey: BBCQWDMVLGIYKO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-Allylamino-5,5-dimethyl-2-cyclohexen-1-on 、 4,5-dimethoxycarbonyl-1-(4'-methylphenyl)-1H-pyrrole-2,3-dione 以 甲苯 为溶剂， 以77%的产率得到methyl 1-allyl-4'-hydroxy-6,6-dimethyl-1'-(4-methylphenyl)-2,4,5'-trioxo-1,1',2,4,5,5',6,7-octahydrospiro[indole-3,2'-pyrrole]-3'-carboxylate
  参考文献：
  名称：

  Five-membred 2,3-dioxoheterocycles: LXXXI. Reactions of 4,5-bis(methoxycarbonyl)-1H-pyrrole-2,3-diones with N-substituted 3-amino-5,5-dimethyl-2-cyclohex-2-en-1-ones. crystal and molecular structure of methyl 4′-hydroxy-6,6-dimethyl-1,1′-bis(4-methylphenyl)-2,4,5′-trioxo-1,1′,2,4,5,5′,6,7-octahydrospiro[indole-3,2′-pyrrole]-3′-carboxylate

  摘要：

  1-Aryl-4,5-bis(methoxycarbonyl)-1H-pyrrole-2,3-diones react with N-substituted 3-amino-5,5-dimethylcyclohex-2-en-1-ones affording methyl 1,1'-diaryl-4'-hydroxy-6,6-dimethyl-2,4,5'-trioxo-1,1',2,4,5,5',6,7-octahydrospiro[indole-3,2'-pyrrole]-3'-carboxylates whose structure was proved by XRD analysis.

  DOI：

  10.1134/s107042801111011x