(6-Cyanoimino-2,3-dimethoxybenzo[b]oxanthren-11-ylidene)cyanamide | 131080-03-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (6-Cyanoimino-2,3-dimethoxybenzo[b]oxanthren-11-ylidene)cyanamide
• CAS: 131080-03-0
• 化学式: C₂₀H₁₂N₄O₄
• 分子量: 372.34
• InChiKey: QHLZWXDOCCRUPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  109
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2,3-二氯-1,4-萘醌 在 吡啶 、 四氯化钛 作用下， 以 氯苯 为溶剂， 反应 30.0h， 生成 (6-Cyanoimino-2,3-dimethoxybenzo[b]oxanthren-11-ylidene)cyanamide
  参考文献：
  名称：

  Synthesis and electrochemical properties of benzo[b]naphtho[2,3-e][1,4]-dioxin-6,11-quinones and their N,N'-dicyano quinone diimine derivatives

  摘要：

  The reaction of 2,3-dichloro-1,4-naphthoquinone (1) and catechols 2 in pyridine affords a series of substituted benzo[b]naphtho[2,3-e][1,4]dioxin-6,11-quinones 3. The latter compounds are transformed to the corresponding N,N'-dicyano quinone diimines 4, by treating them with N,N'-bis(trimethylsilyl)carbodiimide. The electrochemical studies of compounds of the type 3 and 4 in DMF and CH2Cl2, respectively, by means of cyclic voltammetry are reported. The experimental reduction potentials provide information on electron-electron repulsion in the dianionic states of 3 and 4, and hence on their potential use as acceptor components in charge-transfer complexes and organic conductors.

  DOI：

  10.1021/jo00004a042