9,9-diethyl-9H-fluorene-2,7-dithiol | 1245526-51-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 9,9-diethyl-9H-fluorene-2,7-dithiol
• CAS: 1245526-51-5
• 化学式: C₁₇H₁₈S₂
• 分子量: 286.462
• InChiKey: MEUJNXJOTBNIPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.35
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  0.0
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  甲基环氧丙烷 、 9,9-diethyl-9H-fluorene-2,7-dithiol 在 18-冠醚-6 、 sodium hydride 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以86%的产率得到1,1'-(9,9-diethyl-9H-fluorene-2,7-diyl)bis(sulfanediyl)bis(2-methylpropan-2-ol)
  参考文献：
  名称：

  The Electrical Properties of Biphenylenes

  摘要：

  The effect of the partial antiaromaticity of biphenylene on its substitution chemistry, its oxidation potential, and its single-molecule conductance is explored. Biphenylene and fluorene molecules with linkers of two amino groups or two cyclic thioether groups were synthesized and their conduction properties were investigated using scanning tunneling microscopy (STM) break-junction techniques and OFT calculations. Despite the partial antiaromaticity of biphenylene, which causes the biphenylenes to be much more easily oxidizable, no significant increase in molecular conductance was found.

  DOI：

  10.1021/ol1017036
• 作为产物：
  描述：

  9,9-diethyl-9H-fluorene-2,7-disulfonyl dichloride 在 盐酸 、 tin(II) chloride dihdyrate 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 2.0h， 以74%的产率得到9,9-diethyl-9H-fluorene-2,7-dithiol
  参考文献：
  名称：

  The Electrical Properties of Biphenylenes

  摘要：

  The effect of the partial antiaromaticity of biphenylene on its substitution chemistry, its oxidation potential, and its single-molecule conductance is explored. Biphenylene and fluorene molecules with linkers of two amino groups or two cyclic thioether groups were synthesized and their conduction properties were investigated using scanning tunneling microscopy (STM) break-junction techniques and OFT calculations. Despite the partial antiaromaticity of biphenylene, which causes the biphenylenes to be much more easily oxidizable, no significant increase in molecular conductance was found.

  DOI：

  10.1021/ol1017036