(71R,72R,161R,162R,251R,252R,2E,5E,8E,11E,14E,17E,20E,23E,26E)-2,3,6,8,11,12,15,17,20,21,24,26-dodecaaza-1,4,10,13,19,22(1,4)-hexabenzena-7,16,25(1,2)-tricyclohexanacycloheptacosaphane-2,5,8,11,14,17,20,23,26-nonaene | 1227736-08-4

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (71R,72R,161R,162R,251R,252R,2E,5E,8E,11E,14E,17E,20E,23E,26E)-2,3,6,8,11,12,15,17,20,21,24,26-dodecaaza-1,4,10,13,19,22(1,4)-hexabenzena-7,16,25(1,2)-tricyclohexanacycloheptacosaphane-2,5,8,11,14,17,20,23,26-nonaene
• CAS: 1227736-08-4
• 化学式: C₆₀H₆₀N₁₂
• 分子量: 949.217
• InChiKey: YSNRHJOYGNORJF-WUMPAGORSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.79
• 重原子数：
  72.0
• 可旋转键数：
  0.0
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  148.32
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  (71R,72R,161R,162R,251R,252R,2E,5E,8E,11E,14E,17E,20E,23E,26E)-2,3,6,8,11,12,15,17,20,21,24,26-dodecaaza-1,4,10,13,19,22(1,4)-hexabenzena-7,16,25(1,2)-tricyclohexanacycloheptacosaphane-2,5,8,11,14,17,20,23,26-nonaene 在 sodium tetrahydroborate 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 24.0h， 以67%的产率得到
  参考文献：
  名称：

  Novel chiral Schiff base macrocycles containing azobenzene chromophore: gelation and guest inclusion

  摘要：

  A novel chiral Schiff base macrocycle 1 was synthesized by [3+3] condensation of enantiomerically pure trans-1,2-diaminocyclohexane with azobenzene-4,4'-dicarbaldehyde. Subsequent reduction of 1 afforded macrocyclic hexamine 2 having three azobenzene units. The former could be converted into a benzene gel, while the latter could include several aromatic guest molecules. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.03.022
• 作为产物：
  描述：

  (E)-diphenyldiazene-4,4'-dicarbaldehyde 、 (1R,2R)-1,2-diaminocyclohexane 以 氯仿 为溶剂， 反应 24.0h， 以91%的产率得到(71R,72R,161R,162R,251R,252R,2E,5E,8E,11E,14E,17E,20E,23E,26E)-2,3,6,8,11,12,15,17,20,21,24,26-dodecaaza-1,4,10,13,19,22(1,4)-hexabenzena-7,16,25(1,2)-tricyclohexanacycloheptacosaphane-2,5,8,11,14,17,20,23,26-nonaene
  参考文献：
  名称：

  Novel chiral Schiff base macrocycles containing azobenzene chromophore: gelation and guest inclusion

  摘要：

  A novel chiral Schiff base macrocycle 1 was synthesized by [3+3] condensation of enantiomerically pure trans-1,2-diaminocyclohexane with azobenzene-4,4'-dicarbaldehyde. Subsequent reduction of 1 afforded macrocyclic hexamine 2 having three azobenzene units. The former could be converted into a benzene gel, while the latter could include several aromatic guest molecules. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.03.022