| 1315270-54-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1315270-54-2
• 化学式: C₁₀H₇O₃S*C₁₉H₂₅N₂O
• 分子量: 504.65
• InChiKey: OSJWCFYEWHDSOJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.73
• 重原子数：
  36.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  84.55
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  N,N-二乙基-4-氨基苯甲醛 在 哌啶 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Aminostilbazolium Derivatives Substituted by Hydroxyethyl Groups for Second-Order Nonlinear Optics

  摘要：

  As DAST (1-methyl-4-{2-[4-(dimethylamino)phenyl]ethenyl}pyridinium p-toluenesulfonate) derivatives for improved crystal stability and inhibition of crystal water inclusion, 1-(2-hydroxyethyl)-4-(2-{4-[bis(2-hydroxyethyl)amino]phenyl}ethenyl)pyridinium salts 2 (2a-2l) and 1-(2-hydroxyethyl)-4-{2-[4-(diethylamino)phenyl]ethenyl}pyridinium salts 3 (3a-3l) were synthesized and their properties were investigated. Salts 3 were found to have no crystal water, and the cation with one hydroxyethyl group was effective to eliminate water inclusion in the crystals. Although the melting points of 2 were lower than those of the corresponding 3, decomposition temperatures of these chromophores were above 250 degrees C indicating their good thermal stability. Crystals of m-nitrobenzenesulfonate salt 3f was obtained without crystal water and showed SHG activity.

  DOI：

  10.1080/15421406.2011.566081