6-butyl-2,3-dicyano-5-[4-(bis{2-[2-(2-methoxyethoxy)ethoxy]ethyl}amino)styryl]-7-methyl-6H-1,4-diazepine | 1257082-61-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-butyl-2,3-dicyano-5-[4-(bis{2-[2-(2-methoxyethoxy)ethoxy]ethyl}amino)styryl]-7-methyl-6H-1,4-diazepine
• CAS: 1257082-61-3
• 化学式: C₃₄H₄₉N₅O₆
• 分子量: 623.793
• InChiKey: XEDWLKGXEWGSLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.85
• 重原子数：
  45.0
• 可旋转键数：
  24.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  130.92
• 氢给体数：
  0.0
• 氢受体数：
  11.0

反应信息

• 作为产物：
  描述：

  4-[N,N-bis(3,6,9-trioxadecyl)amino]benzaldehyde 、 6-butyl-2,3-dicyano-5,7-dimethyl-6H-1,4-diazepine 在 哌啶 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以10%的产率得到6-butyl-2,3-dicyano-5-[4-(bis{2-[2-(2-methoxyethoxy)ethoxy]ethyl}amino)styryl]-7-methyl-6H-1,4-diazepine
  参考文献：
  名称：

  Fluorescence properties of novel 6-butyl-2,3-dicyano-7-methyl-6H-1,4-diazepine styryl dyes containing ethyleneglycol units

  摘要：

  The fluorescence properties of novel 6-butyl-2,3-dicyano-7-methyl-6H-1,4-diazepine styryl dyes having mono-, di-, tri-, and tetra(ethyleneglycol) units were examined. The mono(ethylenglycol) derivative was solid at room temperature, whereas the di-, tri-, and tetra(ethylenglycol) derivatives were oily. The monoethyleneglycol derivative showed weak aggregation-induced emission enhancement with fluorescence maximum at 649 nm, which comes from J-aggregates. The fluorescence of oily di-, tri-, and tetra (ethyleneglycol) derivatives in neat form was very weak. No aggregation-induced emission enhancement was observed for the oily derivatives. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.09.103