3-(1-Oxidopyridin-1-ium-3-yl)-5-pyridin-3-yl-1,2,4-triazol-4-amine | 1210358-52-3

• 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: 3-(1-Oxidopyridin-1-ium-3-yl)-5-pyridin-3-yl-1,2,4-triazol-4-amine
• 英文别名: 3-(1-oxidopyridin-1-ium-3-yl)-5-pyridin-3-yl-1,2,4-triazol-4-amine
• CAS: 1210358-52-3
• 化学式: C₁₂H₁₀N₆O
• 分子量: 254.251
• InChiKey: YMHQEIBJTRNTGQ-UHFFFAOYSA-N

物化性质

• 熔点：
  305-307 °C
• 沸点：
  663.8±65.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  95.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  双(吡啶-3-基)-4H-1,2,4-三唑-4-胺 在 双氧水 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 36.0h， 以38%的产率得到3,5-bis(3-pyridyl-N-oxide)-4-amino-1,2,4-triazole
  参考文献：
  名称：

  Synthesis and Characterization of New Coordination Polymers with Tunable Luminescent Properties Generated from Bent 1,2,4-Triazole-Bridged N,N′-Dioxides and Ln(III) Salts

  摘要：

  A new bent 1, 2,4-triazole-bridged N,N'-dioxide ligand, namely, 3,5-bis(3-pyridyl-N-oxide)-4-amino-1,2,4-triazole (L2), was designed and synthesized by the oxidation of 3,5-bis(3-pyridyl)-4-amino-1,2,4-triazole with H2O2 in the presence of HOAc at ambient temperatures. Eleven Ln(III)-based coordination polymers have been successfully prepared by the solution reactions of L2 with various Ln(III) -perchlorates. The structures of these new Ln(III) polymers clearly reflect the effect of the lanthanide contraction. Compounds 1-6 feature a two-dimensional net, in which the Ln(III) atoms adopt a nine-coordinate {LnO(9)} sphere due to their larger ionic radii, whereas the Ln(III) centers in the one-dimensional double-stranded chains of 7-11 with smaller ionic radii lie in a {LnO(8)} coordination environment. In addition, the tunable emission intensity was realized on 7 by controlling the type of the involved counterion on the basis of a reversible solid-state anion exchange. Such reversible solid-state anion exchange might provide an alternative approach to tuning the luminescence.

  DOI：

  10.1021/ic902311g

文献信息

• Synthesis and Characterization of New Coordination Polymers with Tunable Luminescent Properties Generated from Bent 1,2,4-Triazole-Bridged <i>N</i>,<i>N</i>′-Dioxides and Ln(III) Salts
  作者：Hai-Ying Wang、Jun-Yan Cheng、Jian-Ping Ma、Yu-Bin Dong、Ru-Qi Huang

  DOI：10.1021/ic902311g

  日期：2010.3.1

  A new bent 1, 2,4-triazole-bridged N,N'-dioxide ligand, namely, 3,5-bis(3-pyridyl-N-oxide)-4-amino-1,2,4-triazole (L2), was designed and synthesized by the oxidation of 3,5-bis(3-pyridyl)-4-amino-1,2,4-triazole with H2O2 in the presence of HOAc at ambient temperatures. Eleven Ln(III)-based coordination polymers have been successfully prepared by the solution reactions of L2 with various Ln(III) -perchlorates. The structures of these new Ln(III) polymers clearly reflect the effect of the lanthanide contraction. Compounds 1-6 feature a two-dimensional net, in which the Ln(III) atoms adopt a nine-coordinate LnO(9)} sphere due to their larger ionic radii, whereas the Ln(III) centers in the one-dimensional double-stranded chains of 7-11 with smaller ionic radii lie in a LnO(8)} coordination environment. In addition, the tunable emission intensity was realized on 7 by controlling the type of the involved counterion on the basis of a reversible solid-state anion exchange. Such reversible solid-state anion exchange might provide an alternative approach to tuning the luminescence.