38-methoxy-4,12,18,21,24,29,32,35-octaoxa-1,15-diazatricyclo[13.11.11.16,10]octatriaconta-6(38),7,9-triene-2,14-dione | 132910-44-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 38-methoxy-4,12,18,21,24,29,32,35-octaoxa-1,15-diazatricyclo[13.11.11.16,10]octatriaconta-6(38),7,9-triene-2,14-dione
• CAS: 132910-44-2
• 化学式: C₂₉H₄₆N₂O₁₁
• 分子量: 598.691
• InChiKey: BUMOLLXIUUTODH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.51
• 重原子数：
  42.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  123.69
• 氢给体数：
  0.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  38-methoxy-4,12,18,21,24,29,32,35-octaoxa-1,15-diazatricyclo[13.11.11.16,10]octatriaconta-6(38),7,9-triene-2,14-dione 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 以73%的产率得到sodium;4,12,18,21,24,29,32,35-octaoxa-1,15-diazatricyclo[13.11.11.16,10]octatriaconta-6(38),7,9-trien-38-olate
  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-[[3-[(2-chloro-2-oxoethoxy)methyl]-2-methoxyphenyl]methoxy]acetyl chloride 、 1,4,7,13,16,19-六氧杂-10,22-二氮杂环二十四烷 在 三乙胺 作用下， 以 苯 为溶剂， 反应 12.0h， 以60%的产率得到38-methoxy-4,12,18,21,24,29,32,35-octaoxa-1,15-diazatricyclo[13.11.11.16,10]octatriaconta-6(38),7,9-triene-2,14-dione
  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

文献信息

• CHAPOTEAU, EDDY;CZECH, BRONISLAW P.;GEBAUER, CARL R.;KUMAR, ANAND;LEONG, +, J. ORG. CHEM., 56,(1991) N, C. 2575-2579
  作者：CHAPOTEAU, EDDY、CZECH, BRONISLAW P.、GEBAUER, CARL R.、KUMAR, ANAND、LEONG, +

  DOI：——

  日期：——