C2-BTBP | 865375-41-3

• 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: C2-BTBP
• 英文别名: 6,6'-bis-(5,6-diethyl-1,2,4-triazin-3-yl)-2,2'-bipyridine；6,6'-bis-(5,6-diethyl-[1,2,4]triazin-3-yl)-2,2'-bipyridyl；6,6'-Bis-(5,6-diethyl-[1,2,4]triazin-3-yl)-2,2'-bipyridyl；3-[6-[6-(5,6-diethyl-1,2,4-triazin-3-yl)pyridin-2-yl]pyridin-2-yl]-5,6-diethyl-1,2,4-triazine
• CAS: 865375-41-3
• 化学式: C₂₄H₂₆N₈
• 分子量: 426.524
• InChiKey: VRJBQEVAQHYHGS-UHFFFAOYSA-N

物化性质

• 沸点：
  688.0±65.0 °C(Predicted)
• 密度：
  1.177±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  C2-BTBP 、 cadmium(II) nitrate tetrhydrate 以 二氯甲烷 、 乙腈 为溶剂， 生成 [Cd(C2-BTBP)₂][Cd(NO₃)₄]
  参考文献：
  名称：

  Fission product interactions with nitrogen donor ligands used for spent nuclear fuel treatment

  摘要：

  The so called BTBP (bis-triazine bi-pyridine)-type molecules have been developed for liquid-liquid extraction in the advanced reprocessing of used nuclear fuel. One solvent composition that has proven to be promising for such an application is the combination of CyMe4-BTBP and tri-butyl phosphate (TBP) in cyclohexanone. This solvent can extract the actinides successfully but unfortunately some fission products are also co-extracted. One of the most problematic fission products is palladium, but silver and cadmium are also extracted by the proposed solvent, which has been investigated here. In this study it was found that CyMe4-BTBP in cyclohexanone, when extracting palladium from nitric acid, forms complexes that are soluble both in the organic and aqueous phase. The predominant complex observed in both phases established with mass spectrometry and confirmed by NMR is a 1:1 complex, contrary to silver that forms 2:2 complexes and cadmium that forms 1:2 complexes. The nitrate dependency of the palladium extraction from nitric acid into a BTBP containing organic phase was found to be two. However, with higher ionic strengths, such as under process conditions, the palladium was found to be salted out into the organic phase. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.10.030
• 作为产物：
  描述：

  2,2'-联吡啶 在 双氧水 、 溶剂黄146 、 肼 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 2.5h， 生成 C2-BTBP
  参考文献：
  名称：

  四齿杂环分子6,6'-双-（5,6-二烷基-1,2,4-三嗪-3-基）-2,2'-联吡啶（BTBP）和镧系元素（III）之间形成的配合物：对act系元素（III）和镧系元素（III）分配的影响。

  摘要：

  合成了新的疏水性四齿氮杂环试剂6,6'-双-（5,6-二烷基-1,2,4-三嗪-3-基）-2,2'-联吡啶（BTBP）。这些试剂与镧系元素形成络合物，并且已经确定了与11种不同镧系元素的晶体结构。大多数结构显示镧系元素与化学计量比[Ln（BTBP）（NO3）3]配比为10配位，尽管Yb和Lu在化学计量比为[Ln（BTBP）（NO3）2（H2O）]的配合物中为9配比。 （NO3）。在这些络合物中，BTBP配体为四齿状且呈平面状，且供体氮相互连接。顺式，顺式，顺式构象 还确定了两个自由分子，即C2-BTBP和CyMe4-BTBP的晶体结构，并显示了分别描述为顺式，反式，顺式和反式，反式，反式，反式的不同构象。硝酸镧和C5-BTBP之间的NMR滴定表明，在溶液中发现了两种不同的络合物，即[La（C5-BTBP）2] 3+和[La（C5-BTBP）（NO3）3]。溶解在辛醇中的BTBP能够以较大的分离系数从1

  DOI：

  10.1039/b511321k

文献信息

• 6,6′-bis-(5,6-diethyl-[1,2,4]triazin-3-yl)-2,2′-bipyridyl the first example of a new class of quadridentate heterocyclic extraction reagents for the separation of americium(III) and europium(III)
  作者：Michael G.B. Drew、Mark R.S.J. Foreman、Clément Hill、Michael J. Hudson、Charles Madic

  DOI：10.1016/j.inoche.2004.12.017

  日期：2005.3

  The synthesis of the first example of a new class of tetradentate reagents for the efficient separation of americium(Ill) and europium(111) is reported together with the structure of the complex formed with europium(III), (C) 2004 Elsevier B.V. All rights reserved.
• Complexes formed between the quadridentate, heterocyclic molecules 6,6′-bis-(5,6-dialkyl-1,2,4-triazin-3-yl)-2,2′-bipyridine (BTBP) and lanthanides(<scp>iii</scp>): implications for the partitioning of actinides(<scp>iii</scp>) and lanthanides(<scp>iii</scp>)
  作者：Mark R. S. Foreman、Michael J. Hudson、Michael G. B. Drew、Clément Hill、Charles Madic

  DOI：10.1039/b511321k

  日期：——

  nitrogen heterocyclic reagents, 6,6'-bis-(5,6-dialkyl-1,2,4-triazin-3-yl)-2,2'-bipyridines (BTBPs) have been synthesised. These reagents form complexes with lanthanides and crystal structures with 11 different lanthanides have been determined. The majority of the structures show the lanthanide to be 10-coordinate with stoichiometry [Ln(BTBP)(NO3)3] although Yb and Lu are 9-coordinate in complexes with

  合成了新的疏水性四齿氮杂环试剂6,6'-双-（5,6-二烷基-1,2,4-三嗪-3-基）-2,2'-联吡啶（BTBP）。这些试剂与镧系元素形成络合物，并且已经确定了与11种不同镧系元素的晶体结构。大多数结构显示镧系元素与化学计量比[Ln（BTBP）（NO3）3]配比为10配位，尽管Yb和Lu在化学计量比为[Ln（BTBP）（NO3）2（H2O）]的配合物中为9配比。 （NO3）。在这些络合物中，BTBP配体为四齿状且呈平面状，且供体氮相互连接。顺式，顺式，顺式构象 还确定了两个自由分子，即C2-BTBP和CyMe4-BTBP的晶体结构，并显示了分别描述为顺式，反式，顺式和反式，反式，反式，反式的不同构象。硝酸镧和C5-BTBP之间的NMR滴定表明，在溶液中发现了两种不同的络合物，即[La（C5-BTBP）2] 3+和[La（C5-BTBP）（NO3）3]。溶解在辛醇中的BTBP能够以较大的分离系数从1
• Fission product interactions with nitrogen donor ligands used for spent nuclear fuel treatment
  作者：Emma Aneheim、Bohumir Grüner、Christian Ekberg、Mark R.StJ. Foreman、Zuzana Hájková、Elin Löfström-Engdahl、Michael G.B. Drew、Michael J. Hudson

  DOI：10.1016/j.poly.2012.10.030

  日期：2013.2

  The so called BTBP (bis-triazine bi-pyridine)-type molecules have been developed for liquid-liquid extraction in the advanced reprocessing of used nuclear fuel. One solvent composition that has proven to be promising for such an application is the combination of CyMe4-BTBP and tri-butyl phosphate (TBP) in cyclohexanone. This solvent can extract the actinides successfully but unfortunately some fission products are also co-extracted. One of the most problematic fission products is palladium, but silver and cadmium are also extracted by the proposed solvent, which has been investigated here. In this study it was found that CyMe4-BTBP in cyclohexanone, when extracting palladium from nitric acid, forms complexes that are soluble both in the organic and aqueous phase. The predominant complex observed in both phases established with mass spectrometry and confirmed by NMR is a 1:1 complex, contrary to silver that forms 2:2 complexes and cadmium that forms 1:2 complexes. The nitrate dependency of the palladium extraction from nitric acid into a BTBP containing organic phase was found to be two. However, with higher ionic strengths, such as under process conditions, the palladium was found to be salted out into the organic phase. (C) 2012 Elsevier Ltd. All rights reserved.