4,5-bis[(trimethylsilyl)imino]pyrene | 1247753-19-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 4,5-bis[(trimethylsilyl)imino]pyrene
• CAS: 1247753-19-0
• 化学式: C₂₂H₂₆N₂Si₂
• 分子量: 374.633
• InChiKey: NKYIAOPXRSALLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.49
• 重原子数：
  26.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  24.72
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  4,5-bis[(trimethylsilyl)imino]pyrene 在 氯化亚砜 作用下， 以 甲苯 为溶剂， 以42%的产率得到1,2,5-pyreno[c]thiadiazole-1-oxide
  参考文献：
  名称：

  Synthesis of π-Extended Thiadiazole (Oxides) and Their Electronic Properties

  摘要：

  The syntheses of extended thiadiazole, thiadiazole oxide, and thiadiazole dioxide heterocycles are described The electron-accepting heterocycles mere investigated by X-ray crystallography and optical as well as electrochemical measurements and supported by OFT calculations The thiadiazole dioxide heterocycles have reduction potentials of -0.7 V vs ferrocene/ferrocenium, suggesting a viable building block for n-type organic materials

  DOI：

  10.1021/ol1018213
• 作为产物：
  描述：

  三甲基氯硅烷 、 芘-4,5-二酮 在 sodium hexamethyldisilazane 作用下， 以 甲苯 为溶剂， 以49%的产率得到4,5-bis[(trimethylsilyl)imino]pyrene
  参考文献：
  名称：

  Synthesis of π-Extended Thiadiazole (Oxides) and Their Electronic Properties

  摘要：

  The syntheses of extended thiadiazole, thiadiazole oxide, and thiadiazole dioxide heterocycles are described The electron-accepting heterocycles mere investigated by X-ray crystallography and optical as well as electrochemical measurements and supported by OFT calculations The thiadiazole dioxide heterocycles have reduction potentials of -0.7 V vs ferrocene/ferrocenium, suggesting a viable building block for n-type organic materials

  DOI：

  10.1021/ol1018213