2,3,5,6-tetrakis(2-methoxyphenyl)pyrazine | 21798-19-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,3,5,6-tetrakis(2-methoxyphenyl)pyrazine
• 英文别名: tetrakis-(2-methoxy-phenyl)-pyrazine；2,3,5,6-Tetrakis-(2-methoxy-phenyl)-pyrazin
• CAS: 21798-19-6
• 化学式: C₃₂H₂₈N₂O₄
• 分子量: 504.585
• InChiKey: JLKVZWGBWRVDBI-UHFFFAOYSA-N

物化性质

• 沸点：
  518.5±45.0 °C(Predicted)
• 密度：
  1.165±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.18
• 重原子数：
  38.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  62.7
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2,3,5,6-tetrakis(2-methoxyphenyl)pyrazine 以 四氢呋喃 、 甲苯 为溶剂， 反应 2.0h， 生成 9b,19b-diaza-9a,19a-bisphenylbora-9,10,19,20-tetraoxatetrabenzo[a,f,j,o]perylene
  参考文献：
  名称：

  Tetracoordinate Boron-Fused Double [5]Helicenes as Cathode Active Materials for Lithium Batteries

  摘要：

  Double [5]helicenes possessing two tetracoordinated boron atoms at the ring junctions were synthesized from glycine anhydride in three steps. The helicene with fluorine substituents on the boron atoms was employed as a cathode active material in a lithium battery to demonstrate moderate performance in the 1.8-3.5 V range with more than 63 mAh gr(-1) discharge capacity for 20 cycles and high Coulombic efficiency of over 90%.

  DOI：

  10.1021/acs.orglett.9b00337
• 作为产物：
  描述：

  四氯吡嗪 、 2-甲氧基苯基硼酸 在 potassium phosphate 、 palladium diacetate 、 三环己基膦 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以78%的产率得到2,3,5,6-tetrakis(2-methoxyphenyl)pyrazine
  参考文献：
  名称：

  Tetracoordinate Boron-Fused Double [5]Helicenes as Cathode Active Materials for Lithium Batteries

  摘要：

  Double [5]helicenes possessing two tetracoordinated boron atoms at the ring junctions were synthesized from glycine anhydride in three steps. The helicene with fluorine substituents on the boron atoms was employed as a cathode active material in a lithium battery to demonstrate moderate performance in the 1.8-3.5 V range with more than 63 mAh gr(-1) discharge capacity for 20 cycles and high Coulombic efficiency of over 90%.

  DOI：

  10.1021/acs.orglett.9b00337