2-(4-Aminophenyl)-3-[4-(dimethylamino)phenyl]buta-1,3-diene-1,1,4,4-tetracarbonitrile | 1072894-85-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-(4-Aminophenyl)-3-[4-(dimethylamino)phenyl]buta-1,3-diene-1,1,4,4-tetracarbonitrile
• 英文别名: 2-(4-aminophenyl)-3-[4-(dimethylamino)phenyl]buta-1,3-diene-1,1,4,4-tetracarbonitrile
• CAS: 1072894-85-9
• 化学式: C₂₂H₁₆N₆
• 分子量: 364.409
• InChiKey: UQXBUWNAYRXUJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  124
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-{[2-(4-aminophenyl)ethynyl]}N,N’-dimethylaniline 、 四氰基乙烯 以 1,2-二氯乙烷 为溶剂， 生成 2-(4-Aminophenyl)-3-[4-(dimethylamino)phenyl]buta-1,3-diene-1,1,4,4-tetracarbonitrile
  参考文献：
  名称：

  Click-Type Reaction of Aromatic Polyamines for Improvement of Thermal and Optoelectronic Properties

  摘要：

  A quantitative addition reaction between aromatic amino-substituted alkynes and tetracyanoethylene (TCNE), yielding donor-substituted tetracyanobutadiene chromophores, was for the first time employed as a click-type reaction to improve the thermal and optoelectronic properties of aromatic polyamines. The first reduction potentials or the LUMO levels of the aromatic polyamines were found to linearly decrease by the stepwise TCNE addition.

  DOI：

  10.1021/ja8061612

文献信息

• Click-Type Reaction of Aromatic Polyamines for Improvement of Thermal and Optoelectronic Properties
  作者：Tsuyoshi Michinobu

  DOI：10.1021/ja8061612

  日期：2008.10.29

  A quantitative addition reaction between aromatic amino-substituted alkynes and tetracyanoethylene (TCNE), yielding donor-substituted tetracyanobutadiene chromophores, was for the first time employed as a click-type reaction to improve the thermal and optoelectronic properties of aromatic polyamines. The first reduction potentials or the LUMO levels of the aromatic polyamines were found to linearly decrease by the stepwise TCNE addition.