4-(3,3,6,6-tetramethyl-1,8-dioxo-10-(p-tolyl)-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)benzonitrile | 1145745-63-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 4-(3,3,6,6-tetramethyl-1,8-dioxo-10-(p-tolyl)-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)benzonitrile
• CAS: 1145745-63-6
• 化学式: C₃₁H₃₂N₂O₂
• 分子量: 464.607
• InChiKey: AJQWRRVDNVUCTQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.76
• 重原子数：
  35.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  61.17
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  4-((p-tolylimino)methyl)benzonitrile 、 5,5-二甲基-1,3-环己二酮 反应 0.08h， 生成 4-(3,3,6,6-tetramethyl-1,8-dioxo-10-(p-tolyl)-1,2,3,4,5,6,7,8,9,10-decahydroacridin-9-yl)benzonitrile
  参考文献：
  名称：

  Efficient, Solvent-Free, Microwave-Enhanced Condensation of 5,5-Dimethyl-1,3-cyclohexanedione with Aldehydes and Imines Using LiBr as Inexpensive, Mild Catalyst

  摘要：

  Efficient, solvent-free, microwave-enhanced condensation of 5,5-dimethyl-1,3-cyclohexanedione with aldehydes using LiBr as catalyst affords xanthenediones. Imines gave only bis-5,5-dimethyl-1,3-cyclohexanediones at high power; a slightly longer period gave xanthenediones. In both types of reactions, the products are obtained in very good to excellent yields. The present protocol is inexpensive and ecofriendly.

  DOI：

  10.1080/00397910902987792