2,3-bis((2-(decyloxy)-4-(diethylamino)benzylidene)amino)but-2-enedinitrile | 1268353-59-8

• 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-bis((2-(decyloxy)-4-(diethylamino)benzylidene)amino)but-2-enedinitrile
• CAS: 1268353-59-8
• 化学式: C₄₆H₇₀N₆O₂
• 分子量: 739.101
• InChiKey: TZPRJRWMGJFUKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.21
• 重原子数：
  54.0
• 可旋转键数：
  30.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  97.24
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  癸基溴 、 4-(二乙氨基)水杨醛 在 哌啶 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 16.0h， 生成 2,3-bis((2-(decyloxy)-4-(diethylamino)benzylidene)amino)but-2-enedinitrile
  参考文献：
  名称：

  Effect of phenyl ring substitution on J-aggregate formation ability of novel bisazomethine dyes in vapour-deposited films

  摘要：

  Bisazomethine dyes, which are synthesized using diaminomaleonitrile and aminobenzaldehydes, exhibit red fluorescence in solution and in the solid state. Several bisazomethine dyes are known to form J-aggregates in vapour-deposited films. In this work, novel bisazomethine dyes were synthesized and the effect of phenyl ring substitution on the J-aggregate formation in vapour-deposited films was examined. The optical properties of the dyes were examined in solution and in the solid state through molecular orbital calculations. Four derivatives were found to form J-aggregates in vapour-deposited films as determined from the shape of the spectrum and the absorption edge. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2010.11.009