2,3,5-trichloro-6-(hexylamino)cyclohexa-2,5-diene-1,4-dione | 1025688-36-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,3,5-trichloro-6-(hexylamino)cyclohexa-2,5-diene-1,4-dione
• CAS: 1025688-36-1
• 化学式: C₁₂H₁₄Cl₃NO₂
• 分子量: 310.608
• InChiKey: BIILBCWEBQABJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.45
• 重原子数：
  18.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.17
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  正己胺 、 四氯苯醌 以 四氢呋喃 为溶剂， 以46%的产率得到2,3,5-trichloro-6-(hexylamino)cyclohexa-2,5-diene-1,4-dione
  参考文献：
  名称：

  New Substituted Tetrathiafulvalene−Quinone Dyads: The Influences of Electron Accepting Abilities of Quinone Units on the Metal Ion-Promoted Electron-Transfer Processes

  摘要：

  The metal ion-promoted electron transfer Occurs to all new dyads 1, 2, 3, and 4, even one of them, dyad 4, which has a rather weak electron acceptor unit. The results also indicate that the metal ion-promoted electron transfer within the dyads is influenced by the electron accepting abilities of quinone units; dyad 2 with the strongest electron acceptor among the four dyads shows the strongest absorption and ESR signals attributed to TTF(.+) in the presence of metal ions.

  DOI：

  10.1021/jo800581t