11,17-Dichlor-29-dioctylamino-14-(p-chlorphenyl)-2,8,10,12,14,16,18,20,26,28,30,31,33,34-tetradecaazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),27,29-pentadecaene | 190138-18-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 11,17-Dichlor-29-dioctylamino-14-(p-chlorphenyl)-2,8,10,12,14,16,18,20,26,28,30,31,33,34-tetradecaazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),27,29-pentadecaene
• 英文别名: 11,17-Dichlor-29-dioctylamino-14-(p-chlorphenyl)-2,8,10,12,14,16,18,20,26,28,30,31,33,34-tetradecaazahexacyclo[25.3.1.1^3,7.1^9,13.1^15,19.1^21,25]pentatriaconta-1(31),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),27,29-pentadecaene
• CAS: 190138-18-2
• 化学式: C₄₃H₅₀Cl₃N₁₅
• 分子量: 883.33
• InChiKey: VUXHOFCJLHKOEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.49
• 重原子数：
  61.0
• 可旋转键数：
  16.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  170.61
• 氢给体数：
  4.0
• 氢受体数：
  15.0

反应信息

• 作为反应物：
  描述：

  5,8,11,14,17-Pentaoxa-2,20-diazaheneicosan 、 11,17-Dichlor-29-dioctylamino-14-(p-chlorphenyl)-2,8,10,12,14,16,18,20,26,28,30,31,33,34-tetradecaazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),27,29-pentadecaene 在 三乙胺 作用下， 以 甲苯 为溶剂， 以32%的产率得到
  参考文献：
  名称：

  Polyazacalix[5]arene - Synthese und NMR-Untersuchungen

  摘要：

  The polyazacalix[5]arenes 5a-f were easily prepared by cyclisation of cyanuric chloride derivatives 3a-d und 4a-b. These macrocycles contain two phenylene and three 1,3,5-triazine units. The derivatisation of reactive chlorine-containing macrocycles 5 with amines, diamines and methanol gave compounds 6a-e. The structures and conformations of these novel macrocyclic ring systems have been investigated by various NMR methods.

  DOI：

  10.1002/prac.19973390147
• 作为产物：
  描述：

  2-di-n-octylamino-4,6-dichloro-1,3,5-triazine 在 sodium carbonate 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 丙酮 为溶剂， 反应 6.5h， 生成 11,17-Dichlor-29-dioctylamino-14-(p-chlorphenyl)-2,8,10,12,14,16,18,20,26,28,30,31,33,34-tetradecaazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),27,29-pentadecaene
  参考文献：
  名称：

  Polyazacalix[5]arene - Synthese und NMR-Untersuchungen

  摘要：

  The polyazacalix[5]arenes 5a-f were easily prepared by cyclisation of cyanuric chloride derivatives 3a-d und 4a-b. These macrocycles contain two phenylene and three 1,3,5-triazine units. The derivatisation of reactive chlorine-containing macrocycles 5 with amines, diamines and methanol gave compounds 6a-e. The structures and conformations of these novel macrocyclic ring systems have been investigated by various NMR methods.

  DOI：

  10.1002/prac.19973390147