diethyl 4-(5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl)benzylphosphonate | 1331841-84-9

• 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: diethyl 4-(5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl)benzylphosphonate
• CAS: 1331841-84-9
• 化学式: C₁₉H₁₉Cl₂N₂O₄P
• 分子量: 441.251
• InChiKey: GPUGFVYYVUANRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.48
• 重原子数：
  28.0
• 可旋转键数：
  8.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  74.45
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  diethyl 4-(5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl)benzylphosphonate 、 1-萘甲醛 在 potassium tert-butylate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 以90.3%的产率得到2-(3,4-dichlorophenyl)-5-(4-(2-(naphthalen-1-yl)vinyl)phenyl)-1,3,4-oxadiazole
  参考文献：
  名称：

  Characterization and optical properties of novel unsymmetrical stilbene-based 1,3,4-oxadiazole derivatives

  摘要：

  A series of novel unsymmetrical stilbene-based 1,3,4-oxadiazole derivatives were efficiently synthesized by a four-pots reaction sequence. All of the title compounds were characterized by MS, H-1-NMR and elemental analysis. UV-Vis absorption and fluorescence emission spectra of the compounds were investigated in dilute chloroform solution; the compounds exhibit strong blue-green fluorescence ranged from 397 to 499 nm and show potential for application in organic optical materials. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.04.013
• 作为产物：
  描述：

  2-(4-(bromomethyl)phenyl)-5-(3,4-dichlorophenyl)-1,3,4-oxadiazole 、 亚磷酸三乙酯 反应 5.0h， 以90.3%的产率得到diethyl 4-(5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl)benzylphosphonate
  参考文献：
  名称：

  Characterization and optical properties of novel unsymmetrical stilbene-based 1,3,4-oxadiazole derivatives

  摘要：

  A series of novel unsymmetrical stilbene-based 1,3,4-oxadiazole derivatives were efficiently synthesized by a four-pots reaction sequence. All of the title compounds were characterized by MS, H-1-NMR and elemental analysis. UV-Vis absorption and fluorescence emission spectra of the compounds were investigated in dilute chloroform solution; the compounds exhibit strong blue-green fluorescence ranged from 397 to 499 nm and show potential for application in organic optical materials. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2012.04.013