6,13-bis{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}-5,7,12,14-tetrahydro-5,14[1',2']:7,12-[1'',2'']-dibenzenopentacene | 332843-00-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: 6,13-bis{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}-5,7,12,14-tetrahydro-5,14[1',2']:7,12-[1'',2'']-dibenzenopentacene
• CAS: 332843-00-2
• 化学式: C₄₆H₄₆O₈
• 分子量: 726.866
• InChiKey: PPVVGCUMIFDZIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.47
• 重原子数：
  54.0
• 可旋转键数：
  18.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  95.84
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  1-(溴甲基)芘 、 6,13-bis{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}-5,7,12,14-tetrahydro-5,14[1',2']:7,12-[1'',2'']-dibenzenopentacene 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 72.67h， 以92%的产率得到6,13-bis{2-[2-(2-(1-pyrenylmethoxy)ethoxy)ethoxy]ethoxy}-5,7,12,14-tetrahydro-5,14[1',2']:7,12-[1'',2'']-dibenzenopentacene
  参考文献：
  名称：

  Cu²⁺-Induced Blue Shift of the Pyrene Excimer Emission:  A New Signal Transduction Mode of Pyrene Probes

  摘要：

  [GRAPHICS]A pentiptycene-bispyrenyl system (1) has been synthesized and investigated as a fluorescent chemosensor for metal ions, A novel blue shift along with an intensity enhancement of the pyrene excimer emission is observed for 1 in the presence of Cu2+. Such a new signal transduction mode of pyrene probes results from the formation of a static pyrene excimer that has very different characteristics from its dynamic counterpart.

  DOI：

  10.1021/ol015524y
• 作为产物：
  描述：

  2-氯乙氧基-2-乙氧基二乙醇 、 6,13-dihydroxy-5,7,12,14-tetrahydro-5,14<1',2'>:7,12<1'',2''>-dibenzenopentacene 在 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 为溶剂， 反应 144.0h， 以97%的产率得到6,13-bis{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}-5,7,12,14-tetrahydro-5,14[1',2']:7,12-[1'',2'']-dibenzenopentacene
  参考文献：
  名称：

  Cu²⁺-Induced Blue Shift of the Pyrene Excimer Emission:  A New Signal Transduction Mode of Pyrene Probes

  摘要：

  [GRAPHICS]A pentiptycene-bispyrenyl system (1) has been synthesized and investigated as a fluorescent chemosensor for metal ions, A novel blue shift along with an intensity enhancement of the pyrene excimer emission is observed for 1 in the presence of Cu2+. Such a new signal transduction mode of pyrene probes results from the formation of a static pyrene excimer that has very different characteristics from its dynamic counterpart.

  DOI：

  10.1021/ol015524y