2-Pyridin-2-yl-5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole | 1415251-75-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-Pyridin-2-yl-5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole
• 英文别名: 2-pyridin-2-yl-5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole
• CAS: 1415251-75-0
• 化学式: C₁₆H₁₅N₃O
• 分子量: 265.315
• InChiKey: JRRFOMLKIKSVKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  六氟磷酸钾 、 [iridium(III)(μ-chloro)(2-phenylpyridine)2]2 、 2-Pyridin-2-yl-5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole 以 甲醇 、 二氯甲烷 、 水 为溶剂， 以61%的产率得到
  参考文献：
  名称：

  Phosphorescence of iridium(III) complexes with 2-(2-pyridyl)-1,3,4-oxadiazoles

  摘要：

  Cationic bis-cyclometalated iridium(III) complexes [(C boolean AND N)(2)Ir(N boolean AND N)](PF6) with 2-(2'-pyridyl)-5-R-1,3,4-oxadiazoles (N boolean AND N; R = 1-adamantyl, mesityl, N-diphenylamino) have a redox gap of 2.58-2.68 V and exhibit orange-red phosphorescence in argon-saturated dichloromethane solution with a maximum, quantum yield, and excited-state lifetime of 613-644 nm, 2-6%, and 90-280 ns. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.07.026
• 作为产物：
  描述：

  5-(2-吡啶基)-1H-四唑 、 2,4,6-三甲基苯甲酰氯 在 吡啶 作用下， 以84%的产率得到2-Pyridin-2-yl-5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole
  参考文献：
  名称：

  Phosphorescence of iridium(III) complexes with 2-(2-pyridyl)-1,3,4-oxadiazoles

  摘要：

  Cationic bis-cyclometalated iridium(III) complexes [(C boolean AND N)(2)Ir(N boolean AND N)](PF6) with 2-(2'-pyridyl)-5-R-1,3,4-oxadiazoles (N boolean AND N; R = 1-adamantyl, mesityl, N-diphenylamino) have a redox gap of 2.58-2.68 V and exhibit orange-red phosphorescence in argon-saturated dichloromethane solution with a maximum, quantum yield, and excited-state lifetime of 613-644 nm, 2-6%, and 90-280 ns. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.07.026

文献信息

• Phosphorescence of iridium(III) complexes with 2-(2-pyridyl)-1,3,4-oxadiazoles
  作者：Nail M. Shavaleev、Rosario Scopelliti、Michael Grätzel、Mohammad K. Nazeeruddin

  DOI：10.1016/j.ica.2012.07.026

  日期：2013.1

  Cationic bis-cyclometalated iridium(III) complexes [(C boolean AND N)(2)Ir(N boolean AND N)](PF6) with 2-(2'-pyridyl)-5-R-1,3,4-oxadiazoles (N boolean AND N; R = 1-adamantyl, mesityl, N-diphenylamino) have a redox gap of 2.58-2.68 V and exhibit orange-red phosphorescence in argon-saturated dichloromethane solution with a maximum, quantum yield, and excited-state lifetime of 613-644 nm, 2-6%, and 90-280 ns. (C) 2012 Elsevier B. V. All rights reserved.