4,10,16,19,24,27-Hexaoxa-1,13-diaza-tricyclo[11.8.8.1^5,9]triaconta-5,7,9(30)-trien-30-ol | 88091-24-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,10,16,19,24,27-Hexaoxa-1,13-diaza-tricyclo[11.8.8.1^5,9]triaconta-5,7,9(30)-trien-30-ol
• 英文别名: 4,10,16,19,24,27-Hexaoxa-1,13-diazatricyclo[11.8.8.15,9]triaconta-5(30),6,8-trien-30-ol
• CAS: 88091-24-1
• 化学式: C₂₂H₃₆N₂O₇
• 分子量: 440.537
• InChiKey: OQAFSMVNZFMHIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  31
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  82.1
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  4-nitrobenzenediazonium tetrafluoroborate 、 4,10,16,19,24,27-Hexaoxa-1,13-diaza-tricyclo[11.8.8.1^5,9]triaconta-5,7,9(30)-trien-30-ol 在 sodium hydroxide 、 溶剂黄146 作用下， 生成 7-[(4-nitrophenyl)azo]-4,10,16,19,24,27-hexaoxa-1,13-diazatricyclo[11.8.8.15,9]triaconta-5,7,9(30)-trien-30-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：

  30-Methoxy-4,10,16,19,24,27-hexaoxa-1,13-diaza-tricyclo[11.8.8.1^5,9]triaconta-5,7,9(30)-triene 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 以75%的产率得到4,10,16,19,24,27-Hexaoxa-1,13-diaza-tricyclo[11.8.8.1^5,9]triaconta-5,7,9(30)-trien-30-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：