26,32,38,65,71,77,82,93-Octatert-butyl-3,22,42,61-tetraoxa-6,7,8,17,18,19,45,46,47,56,57,58-dodecazaheptadecacyclo[61.15.7.724,40.15,8.117,20.130,34.144,47.156,59.169,73.180,84.02,75.010,15.023,28.036,41.049,54.062,67.191,95]hecta-a(91),1,5(99),6,10,12,14,18,20(98),23,25,27,30,32,34(97),36,38,40,44(89),45,49,51,53,57,59(88),62,64,66,69(87),70,72,75,77,80,82,84(86),92,94-octatriacontaene-a,86,87,97-tetrol | 1056466-00-2

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 26,32,38,65,71,77,82,93-Octatert-butyl-3,22,42,61-tetraoxa-6,7,8,17,18,19,45,46,47,56,57,58-dodecazaheptadecacyclo[61.15.7.724,40.15,8.117,20.130,34.144,47.156,59.169,73.180,84.02,75.010,15.023,28.036,41.049,54.062,67.191,95]hecta-a(91),1,5(99),6,10,12,14,18,20(98),23,25,27,30,32,34(97),36,38,40,44(89),45,49,51,53,57,59(88),62,64,66,69(87),70,72,75,77,80,82,84(86),92,94-octatriacontaene-a,86,87,97-tetrol
• CAS: 1056466-00-2
• 化学式: C₁₁₆H₁₃₆N₁₂O₈
• 分子量: 1826.43
• InChiKey: PBPBGAHOOXFUOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.9
• 重原子数：
  136
• 可旋转键数：
  8
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  241
• 氢给体数：
  4
• 氢受体数：
  16

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