Triethyl-[2-[6-(2-triethylsilylethynyl)benzo[b]phenazin-11-yl]ethynyl]silane | 1186294-99-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: Triethyl-[2-[6-(2-triethylsilylethynyl)benzo[b]phenazin-11-yl]ethynyl]silane
• 英文别名: triethyl-[2-[6-(2-triethylsilylethynyl)benzo[b]phenazin-11-yl]ethynyl]silane
• CAS: 1186294-99-4
• 化学式: C₃₂H₃₈N₂Si₂
• 分子量: 506.838
• InChiKey: YRNWFJUMKBRVSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.73
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  、 邻苯二酚 在 potassium dichromate 、 硫酸 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 以57%的产率得到Triethyl-[2-[6-(2-triethylsilylethynyl)benzo[b]phenazin-11-yl]ethynyl]silane
  参考文献：
  名称：

  Are N,N-Dihydrodiazatetracene Derivatives Antiaromatic?

  摘要：

  The synthesis and X-ray characterization of two new dialkynylated diazatetracenes and the corresponding N,N-dihydrodiazatetracenes are reported. The dialkynylated heteroacenes are packed in a brick-wall motif that enforces significant overlap of their pi-faces. Cyclic voltammetry indicates that the clehydrogenated forms are easily reduced to their radical anions in solution. The planarity of these species validates the discussion of their aromaticity. Nucleus Independent Chemical Shift (NICS) computations demonstrate that both of these 20 pi and 24 pi electron systems are aromatic. Both experimental and computational results suggest that the aromaticity of the dihydroheteroacenes is reduced.

  DOI：

  10.1021/ja077614p