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 | 122110-75-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 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
• CAS: 122110-75-2
• 化学式: C₃₀H₄₃N₅O₁₀
• 分子量: 633.699
• InChiKey: ZXQWXFBBQHIQDY-QNEJGDQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.19
• 重原子数：
  45.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  159.18
• 氢给体数：
  1.0
• 氢受体数：
  14.0

反应信息

• 作为产物：
  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