| 1408317-46-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• CAS: 1408317-46-3
• 化学式: CF₃O₃S*C₁₉H₁₉N₄O₄
• 分子量: 516.455
• InChiKey: JOBCLBVQDGGZPZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.24
• 重原子数：
  35.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  136.67
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  在 四丁基碘化铵 作用下， 以 乙腈 为溶剂， 反应 2.0h， 以71%的产率得到
  参考文献：
  名称：

  Stable neutral radicals based on the polyazaacene skeleton that exhibit high electrochemical amphotericity

  摘要：

  Upon the one-electron reduction of N-methylquinoxalino[2,3-b]quinoxaliniums 2, neutral radicals 1 without any bulky protecting groups were generated and isolated as stable solids, which exhibit electric conductivity (sigma = 10(-7) 10(-9) S cm(-1)) as a single-component organic material due to high electrochemical amphotericity (Delta E = ca. 0.9 V). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.095
• 作为产物：
  描述：

  1,4,7,10-Tetramethoxyquinoxalino[2,3-b]quinoxaline 、 三氟甲烷磺酸甲酯 以 二氯甲烷 为溶剂， 反应 3.0h， 以74%的产率得到
  参考文献：
  名称：

  Stable neutral radicals based on the polyazaacene skeleton that exhibit high electrochemical amphotericity

  摘要：

  Upon the one-electron reduction of N-methylquinoxalino[2,3-b]quinoxaliniums 2, neutral radicals 1 without any bulky protecting groups were generated and isolated as stable solids, which exhibit electric conductivity (sigma = 10(-7) 10(-9) S cm(-1)) as a single-component organic material due to high electrochemical amphotericity (Delta E = ca. 0.9 V). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.095