11,23-dibromo-25,27-dibenzyloxy-26,28-bis(propyloxy)calix[4]arene | 945554-43-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 11,23-dibromo-25,27-dibenzyloxy-26,28-bis(propyloxy)calix[4]arene
• 英文别名: 5,17-Dibromo-26,28-bis(phenylmethoxy)-25,27-dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene；5,17-dibromo-26,28-bis(phenylmethoxy)-25,27-dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene
• CAS: 945554-43-8
• 化学式: C₄₈H₄₆Br₂O₄
• 分子量: 846.699
• InChiKey: BMABFVDSMBPMJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.7
• 重原子数：
  54
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  36.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  11,23-dibromo-25,27-dibenzyloxy-26,28-bis(propyloxy)calix[4]arene 、 甲基-蒽酮 在 正丁基锂 、 ammonium hexafluorophosphate 作用下， 以 四氢呋喃 、 正己烷 、 甲醇 为溶剂， 反应 0.5h， 以49%的产率得到11,23-bis(N-methylacridinium-9-yl)-25,27-dibenzyloxy-26,28-bis(propyloxy)calix[4]arene bis(hexafluorophosphate)
  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：

  溴甲苯 、 11,23-dibromo-26,28-dipropoxycalix[4]arene-25,27-diol 在 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以84%的产率得到11,23-dibromo-25,27-dibenzyloxy-26,28-bis(propyloxy)calix[4]arene
  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.