26,32,38,43-Tetratert-butyl-3,22-dioxa-6,7,8,17,18,19-hexazanonacyclo[22.15.7.15,8.117,20.130,34.141,45.02,36.010,15.023,28]pentaconta-1,5(50),6,10,12,14,18,20(49),23,25,27,30(48),31,33,36,38,41,43,45(47)-nonadecaene-47,48-diol | 1056465-97-4

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 26,32,38,43-Tetratert-butyl-3,22-dioxa-6,7,8,17,18,19-hexazanonacyclo[22.15.7.15,8.117,20.130,34.141,45.02,36.010,15.023,28]pentaconta-1,5(50),6,10,12,14,18,20(49),23,25,27,30(48),31,33,36,38,41,43,45(47)-nonadecaene-47,48-diol
• CAS: 1056465-97-4
• 化学式: C₅₈H₆₈N₆O₄
• 分子量: 913.216
• InChiKey: WLFQQPWARVGOKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.5
• 重原子数：
  68
• 可旋转键数：
  4
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1,2-双(叠氮甲基)苯 、 5,11,17,23-tetra-tert-butyl-25,27-dihydroxy-26,28-dipropargylcalix[4]arene 在 triethylphosphite copper(I) iodide complex 、 N,N-二异丙基乙胺 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以50%的产率得到26,32,38,43-Tetratert-butyl-3,22-dioxa-6,7,8,17,18,19-hexazanonacyclo[22.15.7.15,8.117,20.130,34.141,45.02,36.010,15.023,28]pentaconta-1,5(50),6,10,12,14,18,20(49),23,25,27,30(48),31,33,36,38,41,43,45(47)-nonadecaene-47,48-diol
  参考文献：
  名称：

  Synthesis of Calixarene-Based Cavitands and Nanotubes by Click Chemistry

  摘要：

  The synthesis of a variety of calixarene-based cavitands (capped and functional calixarenes) and calix nanotubes is easily performed in good to high yields using "click chemistry" methodology through the Cu(I)-catalyzed ligation of adequate bis-alkyne and bis-azide derivatives.

  DOI：

  10.1021/jo801325c