芘-1-基甲基-吡啶-3-基-亚胺 | 1012370-95-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 中文名称: 芘-1-基甲基-吡啶-3-基-亚胺
• 英文名称: pyren-1-ylmethyl-pyridin-3-yl-imine
• CAS: 1012370-95-4
• 化学式: C₂₂H₁₄N₂
• 分子量: 306.367
• InChiKey: VGIYCGQLPNFNGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.73
• 重原子数：
  24.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.25
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  芘-1-基甲基-吡啶-3-基-亚胺 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以66%的产率得到芘-1-基甲基-吡啶-3-基-胺
  参考文献：
  名称：

  Induced Fit Interanion Discrimination by Binding-Induced Excimer Formation

  摘要：

  The synthesis, photophysical, and anion-binding properties of a series of di-, tri-, and tetrapodal anion-binding hosts based on aminopyridinium units with pyrenyl reporter groups are described. The ditopic mesitylene-derived calix[4]arene-based host 4 binds strongly to dicarboxylates, particularly malonate, in a 2:1 anion:host ratio but is essentially nonemissive in the presence of all anions except chloride because of intramolecular quenching by the pyridinium units. Addition of chloride results in a conformational change, giving an initial increase in emission assigned to intramolecular excimer formation. Further chloride addition also results in an increase in the intensity of the pyrenyl monomer emission as chloride binding reduces the acceptor ability of the pyridinium groups. This behavior is not exhibited by control compounds 5 and 6, which lack the ditopic geometry and calixarene spacer unit; however, tripodal 6 forms 1:2 anion:host complexes with a range of anions.

  DOI：

  10.1021/ja711012d
• 作为产物：
  描述：

  3-氨基吡啶 、 1-芘甲醛 在 magnesium sulfate 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 25.0h， 以82%的产率得到芘-1-基甲基-吡啶-3-基-亚胺
  参考文献：
  名称：

  Induced Fit Interanion Discrimination by Binding-Induced Excimer Formation

  摘要：

  The synthesis, photophysical, and anion-binding properties of a series of di-, tri-, and tetrapodal anion-binding hosts based on aminopyridinium units with pyrenyl reporter groups are described. The ditopic mesitylene-derived calix[4]arene-based host 4 binds strongly to dicarboxylates, particularly malonate, in a 2:1 anion:host ratio but is essentially nonemissive in the presence of all anions except chloride because of intramolecular quenching by the pyridinium units. Addition of chloride results in a conformational change, giving an initial increase in emission assigned to intramolecular excimer formation. Further chloride addition also results in an increase in the intensity of the pyrenyl monomer emission as chloride binding reduces the acceptor ability of the pyridinium groups. This behavior is not exhibited by control compounds 5 and 6, which lack the ditopic geometry and calixarene spacer unit; however, tripodal 6 forms 1:2 anion:host complexes with a range of anions.

  DOI：

  10.1021/ja711012d