| 880758-66-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 880758-66-7
• 化学式: C₄₂H₄₀O₆S₄
• 分子量: 769.04
• InChiKey: DQRMSAHBUBPRJT-UHFFFAOYSA-N

物化性质

• 密度：
  1.42±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.76
• 重原子数：
  52.0
• 可旋转键数：
  10.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55.38
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  在 对甲苯磺酸 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 6.0h， 以95%的产率得到2-[9,10-Bis-benzo[1,3]dithiol-2-ylidene-8-(2-hydroxy-ethoxy)-9,10-dihydro-anthracen-1-yloxy]-ethanol
  参考文献：
  名称：

  Novel 9,10-Bis(1,3-dithiol-2-ylidene)-9,10- dihydroanthracene Derivatives Bridged by a Crown Ether Unit at the 1,8-Positions: A New Type of Redox-switchable Hosts Undergoing Reversible Structural Changes

  摘要：

  Novel redox-switchable host molecules (2) composed of a 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene unit and a crown ether moiety bridging the 1,8-positions have been synthesized. Cyclic voltammetry and X-Ray analyses revealed that the molecules undergo a significant structural change upon oxidation. 'H-NMR titration experiments on the neutral and dication states show that the binding abilities of the dication states for alkali metal cations (Li+, Na+, K+) are considerably lower than those of the neutral molecules. The binding properties of 2 were also investigated by cyclic voltammetry.

  DOI：

  10.3987/com-05-s(t)55
• 作为产物：
  描述：

  1,8-bis[(hydroxyethyl)oxy]anthraquinone 在 正丁基锂 、 对甲苯磺酸 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 为溶剂， 反应 2.83h， 生成
  参考文献：
  名称：

  Novel 9,10-Bis(1,3-dithiol-2-ylidene)-9,10- dihydroanthracene Derivatives Bridged by a Crown Ether Unit at the 1,8-Positions: A New Type of Redox-switchable Hosts Undergoing Reversible Structural Changes

  摘要：

  Novel redox-switchable host molecules (2) composed of a 9,10-bis(1,3-dithiol-2-ylidene)-9,10-dihydroanthracene unit and a crown ether moiety bridging the 1,8-positions have been synthesized. Cyclic voltammetry and X-Ray analyses revealed that the molecules undergo a significant structural change upon oxidation. 'H-NMR titration experiments on the neutral and dication states show that the binding abilities of the dication states for alkali metal cations (Li+, Na+, K+) are considerably lower than those of the neutral molecules. The binding properties of 2 were also investigated by cyclic voltammetry.

  DOI：

  10.3987/com-05-s(t)55