6-(5,6-dimethyl-[1,2,4]triazin-3-yl)-[2,2']bipyridinyl | 31696-81-8

• 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-(5,6-dimethyl-[1,2,4]triazin-3-yl)-[2,2']bipyridinyl
• 英文别名: 6-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2'-bipyridine；dimethyl-hemi-BTP；(Me)hemi-BTP；5,6-Dimethyl-3-(6-pyridin-2-ylpyridin-2-yl)-1,2,4-triazine
• CAS: 31696-81-8
• 化学式: C₁₅H₁₃N₅
• 分子量: 263.302
• InChiKey: HRVUXURRJHWNLF-UHFFFAOYSA-N

物化性质

• 沸点：
  516.8±60.0 °C(Predicted)
• 密度：
  1.204±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 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：

  6-(5,6-dimethyl-[1,2,4]triazin-3-yl)-[2,2']bipyridinyl 、 neodymium(III) nitrate 以 乙腈 为溶剂， 生成 [Nd2(NO3)6(6-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,2'-bipyridine)2]
  参考文献：
  名称：

  1,2,4-三嗪基联吡啶与镧系元素（III）的配位化学-对a（III）分配的影响

  摘要：

  已经确定6-（5,6-二烷基-1,2,4-三嗪-3-基）-2,2'-联吡啶（R，半-BTP）具有介于两者之间的中间性质。特吡啶和双（1,2,4-triazin-3-yl）吡啶（BTP）。但是，它们类似于特吡啶比BTP更紧密。已经显示，当溶解于TPH中时，Et，半BTP就像十二烷一样溶剂-是从from（III）中分离meric（III）的选择性试剂。溶液核磁共振 在 乙腈很大程度上证实了晶体学结果。没有证据表明存在1：3的复合物阳离子或用于金属之间（显著差异III）-N距离为吡啶类和1,2,4-三嗪环。分子内氢键在金属配位球的形成中起着至关重要的作用，这解释了叔吡啶基，R，半BTP和BTP之间的差异。R，半-BTPs的质子化促进构象变化，这是络合所必需的。

  DOI：

  10.1039/b301178j

文献信息

• Synthesis, structure, and redox states of homoleptic d-block metal complexes with bis-1,2,4-triazin-3-yl-pyridine and 1,2,4-triazin-3-yl-bipyridine extractants
  作者：Michael G.B. Drew、Mark R.St.J. Foreman、Andreas Geist、Michael J. Hudson、Frank Marken、Virginia Norman、Michael Weigl

  DOI：10.1016/j.poly.2005.09.030

  日期：2006.3

  it has been established that triazinyl bipyridines (hemi-BTPs) and bis-triazinyl pyridines (BTPs), ligands which are currently being investigated as possible ligands for the separation of actinides from lanthanides in nuclear waste, are able to form homoleptic complexes with first row transition metals such as cobalt(IT), copper(II), iron(II), manganese(II), nickel(II) and zinc(II). The metal complexes exhibit six-co-ordinate octahedral structures and redox states largely analogous to those of the related terpyridine complexes. The reactivity of the different redox states of cobalt bis-hemi-BTP complex in aqueous environments has been studied with two-phase electrochemistry by immobilisation of the essentially water-insoluble metal complexes on graphite electrodes and the immersion of this modified electrode in an aqueous electrolyte.It was found that redox potentials for the metal-centred reactions were pH-independent whereas the potentials for the ligand-centred reactions were strongly pH-dependent. The reductive degradation of these complexes has been investigated by computational methods. Solvent extraction experiments have been carried out for a range of metals and these show that cobalt(II) and nickel(II) as well as palladium(II), cadmium(II) and lead(II) were all extracted with the ligands 1e and 2c with higher distribution ratios that was observed for americium(III) under the same conditions. The implications of this result for the use of these ligands to separate actinides from nuclear waste are discussed. (c) 2005 Elsevier Ltd. All rights reserved.
• The coordination chemistry of 1,2,4-triazinyl bipyridines with lanthanide(iii) elements – implications for the partitioning of americium(iii)
  作者：Michael J. Hudson、Michael G. B. Drew、Mark R. StJ. Foreman、Clément Hill、Nathalie Huet、Charles Madic、Tristan G. A. Youngs

  DOI：10.1039/b301178j

  日期：2003.4.17

  hemi-BTP when dissolved in TPH—a dodecane-like solvent—is a selective reagent for the separation of americium(III) from europium(III). Solution NMR in acetonitrile largely confirmed the crystallographic results. There was no evidence for a 1 ∶ 3 complex cation, or for significant differences between metal(III)–N distances for the pyridine and 1,2,4-triazine rings. Intramolecular hydrogen bonding plays a

  已经确定6-（5,6-二烷基-1,2,4-三嗪-3-基）-2,2'-联吡啶（R，半-BTP）具有介于两者之间的中间性质。特吡啶和双（1,2,4-triazin-3-yl）吡啶（BTP）。但是，它们类似于特吡啶比BTP更紧密。已经显示，当溶解于TPH中时，Et，半BTP就像十二烷一样溶剂-是从from（III）中分离meric（III）的选择性试剂。溶液核磁共振 在 乙腈很大程度上证实了晶体学结果。没有证据表明存在1：3的复合物阳离子或用于金属之间（显著差异III）-N距离为吡啶类和1,2,4-三嗪环。分子内氢键在金属配位球的形成中起着至关重要的作用，这解释了叔吡啶基，R，半BTP和BTP之间的差异。R，半-BTPs的质子化促进构象变化，这是络合所必需的。