25,31,37,42-Tetratert-butyl-46,47,48,49,50-pentamethoxy-7,12,17-trimethyl-3,21-dioxanonacyclo[21.15.7.15,9.110,14.115,19.129,33.140,44.02,35.022,27]pentaconta-1,5(50),6,8,10,12,14(49),15,17,19(48),22,24,26,29(47),30,32,35,37,40,42,44(46)-henicosaene | 122333-61-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 25,31,37,42-Tetratert-butyl-46,47,48,49,50-pentamethoxy-7,12,17-trimethyl-3,21-dioxanonacyclo[21.15.7.15,9.110,14.115,19.129,33.140,44.02,35.022,27]pentaconta-1,5(50),6,8,10,12,14(49),15,17,19(48),22,24,26,29(47),30,32,35,37,40,42,44(46)-henicosaene
• CAS: 122333-61-3
• 化学式: C₇₂H₈₆O₇
• 分子量: 1063.47
• InChiKey: PIIJWEVPHKUDIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.6
• 重原子数：
  79
• 可旋转键数：
  9
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  rubidium picrate 、 25,31,37,42-Tetratert-butyl-46,47,48,49,50-pentamethoxy-7,12,17-trimethyl-3,21-dioxanonacyclo[21.15.7.15,9.110,14.115,19.129,33.140,44.02,35.022,27]pentaconta-1,5(50),6,8,10,12,14(49),15,17,19(48),22,24,26,29(47),30,32,35,37,40,42,44(46)-henicosaene 以 氯仿 、 重水 为溶剂， 生成
  参考文献：
  名称：

  Kinetically stable complexes of alkali cations with rigidified calix[4]arenes: synthesis, x-ray structures, and complexation of calixcrowns and calixspherands

  摘要：

  DOI：

  10.1021/ja00201a045
• 作为产物：
  描述：

  以 甲醇 、 水 为溶剂， 反应 72.0h， 以90%的产率得到25,31,37,42-Tetratert-butyl-46,47,48,49,50-pentamethoxy-7,12,17-trimethyl-3,21-dioxanonacyclo[21.15.7.15,9.110,14.115,19.129,33.140,44.02,35.022,27]pentaconta-1,5(50),6,8,10,12,14(49),15,17,19(48),22,24,26,29(47),30,32,35,37,40,42,44(46)-henicosaene
  参考文献：
  名称：

  Kinetically stable complexes of alkali cations with rigidified calix[4]arenes: synthesis, x-ray structures, and complexation of calixcrowns and calixspherands

  摘要：

  DOI：

  10.1021/ja00201a045

文献信息

• Kinetically stable complexes of alkali cations with rigidified calix[4]arenes: synthesis, x-ray structures, and complexation of calixcrowns and calixspherands
  作者：Pieter J. Dijkstra、Jos A. J. Brunink、Kjell Erik Bugge、David N. Reinhoudt、Sybolt Harkema、Rocco Ungaro、Franco Ugozzoli、Eleonora Ghidini

  DOI：10.1021/ja00201a045

  日期：1989.9