6-(5'-methoxycarbonyl-2'-pyridyl)-3-tolyl-1,2,4-triazine | 913188-66-6

• 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: 6-(5'-methoxycarbonyl-2'-pyridyl)-3-tolyl-1,2,4-triazine
• 英文别名: 3-(5-methoxycarbonyl-2-pyridyl)-6-(4-methylphenyl)-1,2,4-triazine；Methyl 6-[6-(4-methylphenyl)-1,2,4-triazin-3-yl]pyridine-3-carboxylate；methyl 6-[6-(4-methylphenyl)-1,2,4-triazin-3-yl]pyridine-3-carboxylate
• CAS: 913188-66-6
• 化学式: C₁₇H₁₄N₄O₂
• 分子量: 306.324
• InChiKey: KWWVPVKNSPQZQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  77.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-(5'-methoxycarbonyl-2'-pyridyl)-3-tolyl-1,2,4-triazine 、 2,5-降冰片二烯 以 邻二甲苯 为溶剂， 以84%的产率得到5'-methoxycarbonyl-5-tolyl-2,2'-bipyridine
  参考文献：
  名称：

  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

  摘要：

  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.

  DOI：

  10.1016/j.tet.2008.06.040
• 作为产物：
  描述：

  6-羟甲基烟酸甲酯 在 selenium(IV) oxide 作用下， 以 1,4-二氧六环 、 溶剂黄146 为溶剂， 反应 16.5h， 生成 6-(5'-methoxycarbonyl-2'-pyridyl)-3-tolyl-1,2,4-triazine
  参考文献：
  名称：

  5-Aryl-2,2′-bipyridines as tunable fluorophores

  摘要：

  Readily available 5-aryl-2,2'-bipyridines and their derivatives are a unique family of fine-tunable chromophores, where changes in the substitution patterns, solvation and coordination are translated into dramatic spectral changes. They exhibit sensitive and selective response to zinc ions with dramatic increases in emission intensity or significant red-shifts of emission maxima. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.07.111

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.
• 5-Aryl-2,2′-bipyridines as tunable fluorophores
  作者：Dmitry N. Kozhevnikov、Olga V. Shabunina、Dmitry S. Kopchuk、Pavel A. Slepukhin、Valery N. Kozhevnikov

  DOI：10.1016/j.tetlet.2006.07.111

  日期：2006.9

  Readily available 5-aryl-2,2'-bipyridines and their derivatives are a unique family of fine-tunable chromophores, where changes in the substitution patterns, solvation and coordination are translated into dramatic spectral changes. They exhibit sensitive and selective response to zinc ions with dramatic increases in emission intensity or significant red-shifts of emission maxima. (c) 2006 Elsevier Ltd. All rights reserved.