4,10,16,19,22,27,30-Heptaoxa-1,13-diaza-tricyclo[11.11.8.1^5,9]tritriaconta-5,7,9(33)-trien-33-ol | 108306-47-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,10,16,19,22,27,30-Heptaoxa-1,13-diaza-tricyclo[11.11.8.1^5,9]tritriaconta-5,7,9(33)-trien-33-ol
• 英文别名: 4,10,16,19,22,27,30-Heptaoxa-1,13-diazatricyclo[11.11.8.15,9]tritriaconta-5(33),6,8-trien-33-ol
• CAS: 108306-47-4
• 化学式: C₂₄H₄₀N₂O₈
• 分子量: 484.59
• InChiKey: IZGMFVFLDPRNRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  34
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  91.3
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  4-nitrobenzenediazonium tetrafluoroborate 、 4,10,16,19,22,27,30-Heptaoxa-1,13-diaza-tricyclo[11.11.8.1^5,9]tritriaconta-5,7,9(33)-trien-33-ol 在 sodium hydroxide 、 溶剂黄146 作用下， 生成 7-(4-Nitro-phenylazo)-4,10,16,19,22,27,30-heptaoxa-1,13-diaza-tricyclo[11.11.8.1^5,9]tritriaconta-5,7,9(33)-trien-33-ol
  参考文献：
  名称：

  Phenylazophenol-quinone phenylhydrazone tautomerism in chromogenic cryptands and corands with inward-facing phenolic units and their acyclic analogs

  摘要：

  A series of 4-(4'-nitrophenol)azophenol compounds is prepared in which ether oxygen-containing substituents are attached at the 2- and 6-positions or connect the 2- and 6-positions to incorporate the chromophoric unit into corand or cryptand structures with inward-facing phenolic groups. The phenylazophenol-quinone phenylhydrazone tautomerism of these compounds, as probed by ultraviolet-visible spectroscopy, reveals a pronounced effect of the structure of the ether oxygen-containing substituents or bridging unit upon the tautomeric equilibrium. Chromogenic responses of five cryptands with inward-facing phenolic groups to sodium and potassium ions are determined and compared.

  DOI：

  10.1021/jo00007a057
• 作为产物：
  描述：

  2,2'-[(2-Methoxy-1,3-phenylene)bis(oxy)]diacetyl chloride 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 20.0h， 生成 4,10,16,19,22,27,30-Heptaoxa-1,13-diaza-tricyclo[11.11.8.1^5,9]tritriaconta-5,7,9(33)-trien-33-ol
  参考文献：
  名称：

  Czech, Anna; Czech, Bronislaw P.; Desai, Dhimant H., Journal of Heterocyclic Chemistry, 1986, vol. 23, p. 1355 - 1358

  摘要：

  DOI：

文献信息

• Czech, Anna; Czech, Bronislaw P.; Desai, Dhimant H., Journal of Heterocyclic Chemistry, 1986, vol. 23, p. 1355 - 1358
  作者：Czech, Anna、Czech, Bronislaw P.、Desai, Dhimant H.、Hallman, Johnny L.、Phillips, John B.、Bartsch, Richard A.

  DOI：——

  日期：——
• Phenylazophenol-quinone phenylhydrazone tautomerism in chromogenic cryptands and corands with inward-facing phenolic units and their acyclic analogs
  作者：Eddy Chapoteau、Bronislaw P. Czech、Carl R. Gebauer、Anand Kumar、Koonwah Leong、Daniel T. Mytych、Wolodymyr Zazulak、Dhimant H. Desai、Elzbieta Luboch

  DOI：10.1021/jo00007a057

  日期：1991.3

  A series of 4-(4'-nitrophenol)azophenol compounds is prepared in which ether oxygen-containing substituents are attached at the 2- and 6-positions or connect the 2- and 6-positions to incorporate the chromophoric unit into corand or cryptand structures with inward-facing phenolic groups. The phenylazophenol-quinone phenylhydrazone tautomerism of these compounds, as probed by ultraviolet-visible spectroscopy, reveals a pronounced effect of the structure of the ether oxygen-containing substituents or bridging unit upon the tautomeric equilibrium. Chromogenic responses of five cryptands with inward-facing phenolic groups to sodium and potassium ions are determined and compared.