diethyl 4-(5-(phenyl)-1,3,4-oxadiazol-2-yl)benzylphosphonate | 65145-92-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 英文名称: diethyl 4-(5-(phenyl)-1,3,4-oxadiazol-2-yl)benzylphosphonate
• 英文别名: 2-[4-(Diethoxyphosphorylmethyl)phenyl]-5-phenyl-1,3,4-oxadiazole；2-[4-(diethoxyphosphorylmethyl)phenyl]-5-phenyl-1,3,4-oxadiazole
• CAS: 65145-92-8
• 化学式: C₁₉H₂₁N₂O₄P
• 分子量: 372.361
• InChiKey: NBHCBJPPOKOGPV-UHFFFAOYSA-N

物化性质

• 沸点：
  529.3±60.0 °C(Predicted)
• 密度：
  1?+-.0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  74.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  diethyl 4-(5-(phenyl)-1,3,4-oxadiazol-2-yl)benzylphosphonate 、 2,4-二氯苯甲醛 在 potassium tert-butylate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 以88.9%的产率得到2-(4-(2,4-dichlorostyryl)phenyl)-5-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-甲基苯基)-5-苯基-1,3,4-恶二唑 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氯化碳 为溶剂， 反应 15.0h， 生成 diethyl 4-(5-(phenyl)-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

文献信息

• US4138552A
  申请人：——

  公开号：US4138552A

  公开（公告）日：1979-02-06