2,8,14,20-Tetrakis(4-methylphenyl)-5,11,17,23-tetrapyrrolidin-1-yl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene | 1609288-87-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,8,14,20-Tetrakis(4-methylphenyl)-5,11,17,23-tetrapyrrolidin-1-yl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
• 英文别名: 2,8,14,20-tetrakis(4-methylphenyl)-5,11,17,23-tetrapyrrolidin-1-yl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
• CAS: 1609288-87-0
• 化学式: C₆₄H₆₈N₁₂
• 分子量: 1005.32
• InChiKey: VJFKBKOHVDTPQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.2
• 重原子数：
  76
• 可旋转键数：
  8
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  84.2
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  在 potassium carbonate 、 copper(I) bromide 、 nickel dichloride 、 ammonium hexafluorophosphate 作用下， 以 硝基苯 、 氯仿 、 水 为溶剂， 反应 4.0h， 以57%的产率得到2,8,14,20-Tetrakis(4-methylphenyl)-5,11,17,23-tetrapyrrolidin-1-yl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
  参考文献：
  名称：

  Template-directed synthesis of macrocyclic aminopyridines: azacalix[n](2,6)pyridines (n=3, 4)

  摘要：

  Template-induced synthetic routes for azacalix[n](2,6)pyridines (n = 3, 4) have been elaborated. The proton and nickel ion served as the efficient template for the cyclization reactions, and the presence of the templates preferentially afforded the cyclic trimers and tetramers in moderate to good yields, respectively. The compatibility of the cyclic tetramer with nickel ion was also confirmed by X-ray crystallography. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.03.126

文献信息

• Template-directed synthesis of macrocyclic aminopyridines: azacalix[n](2,6)pyridines (n=3, 4)
  作者：Natsuko Uchida、Ruoxi Zhi、Junpei Kuwabara、Takaki Kanbara

  DOI：10.1016/j.tetlet.2014.03.126

  日期：2014.5

  Template-induced synthetic routes for azacalix[n](2,6)pyridines (n = 3, 4) have been elaborated. The proton and nickel ion served as the efficient template for the cyclization reactions, and the presence of the templates preferentially afforded the cyclic trimers and tetramers in moderate to good yields, respectively. The compatibility of the cyclic tetramer with nickel ion was also confirmed by X-ray crystallography. (C) 2014 Elsevier Ltd. All rights reserved.