9-acetyl-4-cinnamoyl-3-hydroxy-8-methyl-7-(4-methylphenyl)-1-phenyl-1,7-diazaspiro[4.4]nona-3,8-diene-2,6-dione | 1413924-13-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 9-acetyl-4-cinnamoyl-3-hydroxy-8-methyl-7-(4-methylphenyl)-1-phenyl-1,7-diazaspiro[4.4]nona-3,8-diene-2,6-dione
• CAS: 1413924-13-6
• 化学式: C₃₂H₂₆N₂O₅
• 分子量: 518.569
• InChiKey: FZVMQVOIWHRAOP-KNTRCKAVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.08
• 重原子数：
  39.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  94.99
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  methyl 3-cinnamoyl-4,5-dioxo-1-phenyl-4,5-dihydro-1H-pyrrole-2-carboxylate 、 (Z)-4-(4-methylphenylamino)pent-3-en-2-one 以 甲苯 为溶剂， 反应 3.0h， 以77%的产率得到9-acetyl-4-cinnamoyl-3-hydroxy-8-methyl-7-(4-methylphenyl)-1-phenyl-1,7-diazaspiro[4.4]nona-3,8-diene-2,6-dione
  参考文献：
  名称：

  Five-membered 2,3-dioxo heterocycles: LXXXIX. Reaction of methyl 1-aryl-3-cinnamoyl-4,5-dioxo-4,5-dihydro-1H-pyrrole-2-carboxylates with (E)-4-arylaminopent-3-en-2-ones. Crystalline and molecular structure of 9-acetyl-4-cinnamoyl-3-hydroxy-1-(4-methoxyphenyl)-8-methyl-7-phenyl-1,7-diazaspiro[4.4]nona-3,8-diene-2,6-dione

  摘要：

  Methyl 1-aryl-3-cinnamoyl-4,5-dioxo-4,5-dihydro-1H-pyrrole-2-carboxylates reacted with 4-benzylamino- and 4-arylaminopent-3-en-2-ones to give 1-aryl-7-benzyl- and 1,7-diaryl-9-acetyl-4-cinnamoyl-3-hydroxy-8-methyl-1,7-diazaspiro[4.4]nona-3,8-diene-2,6-diones. The crystalline and molecular structures of 9-acetyl-4-cinnamoyl-3-hydroxy-1-(4-methoxyphenyl)-8-methyl-7-phenyl-1,7-diazaspiro[4.4]nona-3,8-diene-2,6-dione were studied by X-ray analysis.

  DOI：

  10.1134/s1070428012100120