2,3-bis[(4-(N,N-dibutylamino)benzylidene)amino]fumaronitrile | 1330532-39-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,3-bis[(4-(N,N-dibutylamino)benzylidene)amino]fumaronitrile
• 英文别名: (E)-2,3-bis[[4-(dibutylamino)phenyl]methylideneamino]but-2-enedinitrile
• CAS: 1330532-39-2
• 化学式: C₃₄H₄₆N₆
• 分子量: 538.779
• InChiKey: XALOWVNAOHHHFZ-QJXKKEPHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  40
• 可旋转键数：
  18
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  78.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N,N-二丁基苯胺 在 哌啶 、 三氯氧磷 作用下， 以 苯 为溶剂， 反应 6.5h， 生成 2,3-bis[(4-(N,N-dibutylamino)benzylidene)amino]fumaronitrile
  参考文献：
  名称：

  Alkyl substituent effects on J- or H-aggregate formation of bisazomethine dyes

  摘要：

  Bisazomethine dyes with terminal alkyl substituents of different chain lengths (BAR: R = 1, 2, 3, 4, 5 and 6) were synthesized and deposited on a glass substrate to investigate the effect of the alkyl chain length on aggregate formation. Methyl- and ethyl-substituted bisazomethine dyes (BA1 and BA2) formed J-aggregates in thin films (ca. 50 nm), whereas, propyl-, butyl-, pentyl- and hexyl-substituted derivatives (BA3, BA4, BA5 and BA6) formed H-aggregates in thin films (ca. 50 nm). The aggregate formation of the BARs changed drastically between ethyl- and propyl-substituents (BA2/BA3). However, no remarkable changes were observed in the surface morphologies of BA2 and BA3 films. It is suggested that the critical determinant of aggregate formation of BAR is the molecular packing in the film, which depends on the chain length of the terminal alkyl substituent. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2011.05.024

文献信息

• Alkyl substituent effects on J- or H-aggregate formation of bisazomethine dyes
  作者：Kenji Kinashi、Kyun-Phyo Lee、Shinya Matsumoto、Kenji Ishida、Yasukiyo Ueda

  DOI：10.1016/j.dyepig.2011.05.024

  日期：2012.1

  Bisazomethine dyes with terminal alkyl substituents of different chain lengths (BAR: R = 1, 2, 3, 4, 5 and 6) were synthesized and deposited on a glass substrate to investigate the effect of the alkyl chain length on aggregate formation. Methyl- and ethyl-substituted bisazomethine dyes (BA1 and BA2) formed J-aggregates in thin films (ca. 50 nm), whereas, propyl-, butyl-, pentyl- and hexyl-substituted derivatives (BA3, BA4, BA5 and BA6) formed H-aggregates in thin films (ca. 50 nm). The aggregate formation of the BARs changed drastically between ethyl- and propyl-substituents (BA2/BA3). However, no remarkable changes were observed in the surface morphologies of BA2 and BA3 films. It is suggested that the critical determinant of aggregate formation of BAR is the molecular packing in the film, which depends on the chain length of the terminal alkyl substituent. (C) 2011 Elsevier Ltd. All rights reserved.