| 1207251-47-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1207251-47-5
• 化学式: C₂₄H₂₈O₂S₂
• 分子量: 412.617
• InChiKey: DHAHOZIPYFIOAK-HOTGVXAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.12
• 重原子数：
  28.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 正丁基锂 、 四甲基乙二胺 、 碘 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 0.17h， 以87%的产率得到
  参考文献：
  名称：

  2D Assembly of Metallacycles on HOPG by Shape-Persistent Macrocycle Templates

  摘要：

  The synthesis and scanning tunneling microscopy (STM) investigations of shape-persistent arylene-ethynylene-butadiynylene macrocycles along with their codeposites with metallacycles are reported. 2D ordered arrays of macrocycles and macrocycle/metallacycle architectures (1:1) have been obtained on HOPG by self-assembly under ambient conditions. It is found that the ordered macrocycle array acts as a template for the deposition of the adlayer molecules. For each underlying macrocycle, one metallacycle has been detected. The unit-cell data of both, the macrocycles; and their codeposites, show that the structural information of the macrocycle layer is perfectly transformed to the guest molecules. A rather unexpected observation is that the present compound could not be coadsorbed with C-60, indicating that only a minor change in the structure of the macrocycle has a dramatic effect on the ability of the monolayer to bind additional guest molecules.

  DOI：

  10.1021/ja907220f
• 作为产物：
  描述：

  (S)-(+)-2-甲基溴丁烷 、 naphtho[2,1-b:3,4-b']dithiophene-5,6-diol 在 caesium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 96.0h， 以204 mg的产率得到
  参考文献：
  名称：

  2D Assembly of Metallacycles on HOPG by Shape-Persistent Macrocycle Templates

  摘要：

  The synthesis and scanning tunneling microscopy (STM) investigations of shape-persistent arylene-ethynylene-butadiynylene macrocycles along with their codeposites with metallacycles are reported. 2D ordered arrays of macrocycles and macrocycle/metallacycle architectures (1:1) have been obtained on HOPG by self-assembly under ambient conditions. It is found that the ordered macrocycle array acts as a template for the deposition of the adlayer molecules. For each underlying macrocycle, one metallacycle has been detected. The unit-cell data of both, the macrocycles; and their codeposites, show that the structural information of the macrocycle layer is perfectly transformed to the guest molecules. A rather unexpected observation is that the present compound could not be coadsorbed with C-60, indicating that only a minor change in the structure of the macrocycle has a dramatic effect on the ability of the monolayer to bind additional guest molecules.

  DOI：

  10.1021/ja907220f