7,8,9,16,17,18-hexahydro-6,15-diaza-dibenzo[a,h]cyclotetradecene | 23723-50-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 7,8,9,16,17,18-hexahydro-6,15-diaza-dibenzo[a,h]cyclotetradecene
• 英文别名: 3,4,10,11-Dibenzo-1,8-diazacyclotetradeca-1,3,8,10-tetraen
• CAS: 23723-50-4
• 化学式: C₂₀H₂₂N₂
• 分子量: 290.408
• InChiKey: HEIRSDOFOXRVDL-YHARCJFQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  24.72
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  4,5-dihydro-3H-benzo[c]azepine 反应 0.33h， 生成 7,8,9,16,17,18-hexahydro-6,15-diaza-dibenzo[a,h]cyclotetradecene
  参考文献：
  名称：

  Synthesis and Exchange Reactions of 1,4,8,11-Tetraazacyclotetradeca-7(E),14(E)-diene-5,12-diones

  摘要：

  A number of functionalized, unsaturated 5,12-dioxo cyclams were synthesized by acid-catalyzed dimerization of appropriately functionalized azapenams. Although easily isolated and purified, these unsaturated tetraaza macrocycles underwent acid-catalyzed exchange reactions of the monomer unit to give mixed systems. Even a simple dihydrobenzazepine participated in this exchange process to give a ''hybrid'' macrocycle.

  DOI：

  10.1021/jo00104a039