9-Ethoxy-9-[37-(9-ethoxy-10-methylacridin-9-yl)-46,47-dipropoxy-3,6,9,12,15,18,21-heptaoxahexacyclo[21.15.7.129,33.140,44.02,35.022,27]heptatetraconta-1,22,24,26,29(47),30,32,35,37,40,42,44(46)-dodecaen-25-yl]-10-methylacridine | 958257-17-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 9-Ethoxy-9-[37-(9-ethoxy-10-methylacridin-9-yl)-46,47-dipropoxy-3,6,9,12,15,18,21-heptaoxahexacyclo[21.15.7.129,33.140,44.02,35.022,27]heptatetraconta-1,22,24,26,29(47),30,32,35,37,40,42,44(46)-dodecaen-25-yl]-10-methylacridine
• 英文别名: 9-ethoxy-9-[37-(9-ethoxy-10-methylacridin-9-yl)-46,47-dipropoxy-3,6,9,12,15,18,21-heptaoxahexacyclo[21.15.7.129,33.140,44.02,35.022,27]heptatetraconta-1,22,24,26,29(47),30,32,35,37,40,42,44(46)-dodecaen-25-yl]-10-methylacridine
• CAS: 958257-17-5
• 化学式: C₇₈H₈₈N₂O₁₁
• 分子量: 1229.56
• InChiKey: LYTJKNJVHJQVAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.3
• 重原子数：
  91
• 可旋转键数：
  12
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  108
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  9-Ethoxy-9-[37-(9-ethoxy-10-methylacridin-9-yl)-46,47-dipropoxy-3,6,9,12,15,18,21-heptaoxahexacyclo[21.15.7.129,33.140,44.02,35.022,27]heptatetraconta-1,22,24,26,29(47),30,32,35,37,40,42,44(46)-dodecaen-25-yl]-10-methylacridine 在 hexafluorophosphoric acid 作用下， 以 乙腈 为溶剂， 以0.5 g的产率得到
  参考文献：
  名称：

  Photoswitchable calix[4]arenes bearing dihydroacridine substituents at the upper rim

  摘要：

  Eight new calix[4]arene host molecules bearing acridinium or the corresponding dihydroacridine substituents have been prepared. H-1 NMR and electrochemical studies reveal that the acridinium substituents block the host cavity. Both photochemical and chemical switching between acridinium and dihydroacridine hosts are demonstrated. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.06.126
• 作为产物：
  描述：

  、 乙醇 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 以95%的产率得到9-Ethoxy-9-[37-(9-ethoxy-10-methylacridin-9-yl)-46,47-dipropoxy-3,6,9,12,15,18,21-heptaoxahexacyclo[21.15.7.129,33.140,44.02,35.022,27]heptatetraconta-1,22,24,26,29(47),30,32,35,37,40,42,44(46)-dodecaen-25-yl]-10-methylacridine
  参考文献：
  名称：

  Photoswitchable calix[4]arenes bearing dihydroacridine substituents at the upper rim

  摘要：

  Eight new calix[4]arene host molecules bearing acridinium or the corresponding dihydroacridine substituents have been prepared. H-1 NMR and electrochemical studies reveal that the acridinium substituents block the host cavity. Both photochemical and chemical switching between acridinium and dihydroacridine hosts are demonstrated. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.06.126

文献信息

• Photoswitchable calix[4]arenes bearing dihydroacridine substituents at the upper rim
  作者：Lutz Grubert、Werner Abraham

  DOI：10.1016/j.tet.2007.06.126

  日期：2007.10

  Eight new calix[4]arene host molecules bearing acridinium or the corresponding dihydroacridine substituents have been prepared. H-1 NMR and electrochemical studies reveal that the acridinium substituents block the host cavity. Both photochemical and chemical switching between acridinium and dihydroacridine hosts are demonstrated. (C) 2007 Elsevier Ltd. All rights reserved.