3-(2-pyridyl)-6-(4-pyridyl)-1,2,4-triazine | 850090-01-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 3-(2-pyridyl)-6-(4-pyridyl)-1,2,4-triazine
• 英文别名: 3-Pyridin-2-yl-6-pyridin-4-yl-1,2,4-triazine
• CAS: 850090-01-6
• 化学式: C₁₃H₉N₅
• 分子量: 235.248
• InChiKey: JMGQDZGQHYEFLG-UHFFFAOYSA-N

物化性质

• 熔点：
  193-194 °C(Solv: ethanol (64-17-5))
• 沸点：
  496.3±48.0 °C(Predicted)
• 密度：
  1.263±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  18
• 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：
  64.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-(1-环戊烯基)吗啉 、 3-(2-pyridyl)-6-(4-pyridyl)-1,2,4-triazine 在 溶剂黄146 作用下， 以 1,4-二氧六环 为溶剂， 反应 25.0h， 以79%的产率得到2-(2-pyridyl)-5-(4-pyridyl)cyclopenteno[c]pyridine
  参考文献：
  名称：

  An efficient route to 5-(hetero)aryl-2,4′- and 2,2′-bipyridines through readily available 3-pyridyl-1,2,4-triazines

  摘要：

  A new route to substituted bipyridines based on a new method for the synthesis of substituted 3-pyridyl-1,2,4-triazines and their aza-Diels-Alder reactions is shown to be an efficient strategy for the preparation of structurally diverse bipyridine ligands. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.01.135
• 作为产物：
  描述：

  4-乙酰吡啶 在 亚硝酸异丙酯 、 sodium ethanolate 、 一水合肼 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 生成 3-(2-pyridyl)-6-(4-pyridyl)-1,2,4-triazine
  参考文献：
  名称：

  An efficient route to 5-(hetero)aryl-2,4′- and 2,2′-bipyridines through readily available 3-pyridyl-1,2,4-triazines

  摘要：

  A new route to substituted bipyridines based on a new method for the synthesis of substituted 3-pyridyl-1,2,4-triazines and their aza-Diels-Alder reactions is shown to be an efficient strategy for the preparation of structurally diverse bipyridine ligands. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.01.135

文献信息

• Facile synthesis of 6-aryl-3-pyridyl-1,2,4-triazines as a key step toward highly fluorescent 5-substituted bipyridines and their Zn(II) and Ru(II) complexes
  作者：Valery N. Kozhevnikov、Olga V. Shabunina、Dmitry S. Kopchuk、Maria M. Ustinova、Burkhard König、Dmitry N. Kozhevnikov

  DOI：10.1016/j.tet.2008.06.040

  日期：2008.9

  A wide series Of Substituted bipyridines were obtained through the synthesis of 1,2,4-triazines and their aza Diels-Alder reactions. The reported method facilitates the synthesis of functionally diverse bipyridines that provides fine-tuning of photophysical properties of new ligands and their Zn(II) and Ru(II) complexes. Some of substituted bipyridines exhibit 'off-on' fluorescence response toward Zn 2 cations. (C) 2008 Elsevier Ltd. All rights reserved.