[Ru(2,2’-bipyridine)₂(2-pyridylcarboxylate)]PF₆ | 142904-94-7

• 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: [Ru(2,2’-bipyridine)₂(2-pyridylcarboxylate)]PF₆
• 英文别名: [Ru(bpy)₂(pic)]PF₆；(2-carboxypyridinato)bis(2,2'-bipyridine)ruthenium(II) hexafluorophosphate；[Ru(2,2'-bipyridine)(2-picolinate)][PF6]；[bis(2,2'-bipyridine)(pyridine-2-carboxylato)ruthenium(II)] hexafluorophosphate；pyridine-2-carboxylate;2-pyridin-2-ylpyridine;ruthenium(2+);hexafluorophosphate
• CAS: 142904-94-7
• 化学式: C₂₆H₂₀N₅O₂Ru*F₆P
• 分子量: 680.511
• InChiKey: VYPRAFIDTOAPEU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  7.11
• 重原子数：
  41
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 sodium picolinate 、 顺-双(2,2-二吡啶)二氯化钌(II) 水合物 以 乙醇 、 水 为溶剂， 以85%的产率得到[Ru(2,2’-bipyridine)₂(2-pyridylcarboxylate)]PF₆
  参考文献：
  名称：

  双（N-供体）酮配体的烯烃类似物：含有1-（吡啶-2-基）-1-（N-甲基咪唑-2-基）乙烯和1,1-双（N-甲基咪唑）的钌（II）配合物吡啶-2-基）乙烯（（MIM）2 CCH 2），和结构研究的[Ru（联吡啶）2 {（MIM）2 CCH 2 }] [PF 6 ] 2（BPY = 2,2'联吡啶）和吡啶-2-羧酸甲酯（pyCO 2  - ）复合物的[Ru（联吡啶）2（pyCO 2）] [PF 6 ]

  摘要：

  配合物[Ru（bpy）2（N〜N）] [PF 6 ] 2由顺式-[RuCl 2（bpy）2 ]·2H 2 O（bpy = 2,2'-联吡啶）和在乙醇水溶液中的双齿配体N〜N（（mim）2 C ＝ CH 2和（py）（mim）C ＝CH 2，其中py ＝吡啶-2-基，mim ＝N-甲基咪唑-2-基）。用类似物（py）（mim）C ＝ O，形成吡啶-2-羧酸酯络合物[Ru（bpy）2（pyCO 2）] [PF 6 ]。配合物的[Ru（联吡啶）2 {（MIM）2 CCH 2 }] [PF6 ] 2（1）和[Ru（bpy）2（pyCO 2）] [PF 6 ]（3）具有室温单晶X射线研究的特征，显示出钌（II）的八面体几何形状失真。的（MIM）2 CCH 2配体是非平面的，与所述MIM平均平面形成32.2（1）的二面角°和形成的56.5（1）和60.4（1）二面角°与`C与其他金属络合物中的酮类似物（mim）2

  DOI：

  10.1016/s0020-1693(96)05357-1

文献信息

• Synthesis of Novel Pyridyl-Based Schiff Base and Its Coordination Behaviour with Ruthenium(II) and Zinc(II)
  作者：Kamelah S. Al-Rashdi、Naser E. Eltayeb、Nada D. Al-Khathami、Amal S. Basaleh、Mutlaq Al-Jahdali、Bandar A. Babgi

  DOI：10.14233/ajchem.2017.20655

  日期：——

  High reactivity of the Schiff base product of p-toluidine with pyridine-2-carboxaldehyde was observed, leading to methyl group isomerization (immigration) to ortho-position followed by the dimerization reaction to form biphenyl system. This compound was identified and characterized using IR, ESI MS and NMR spectroscopic methods and its structure confirmed by XRD single crystal. The coordination behaviour of the Schiff base was examined using ruthenium(II) and zinc(II). Two metal complexes were only isolated and identified by X-ray crystallography for ruthenium(II) and zinc(II). The coordination behaviour of both metals differs significantly, although both of them promote the oxidation reaction on one of the azomethine bond.

  观察到对甲苯胺与吡啶-2-甲醛的席夫碱产物具有高反应性，导致甲基异构化（迁移）至邻位，然后进行二聚反应形成联苯体系。采用IR、ESI MS和NMR光谱方法对该化合物进行了鉴定和表征，并通过XRD单晶证实了其结构。使用钌(II) 和锌(II) 检查席夫碱的配位行为。仅通过 X 射线晶体学分离和鉴定了钌 (II) 和锌 (II) 的两种金属配合物。两种金属的配位行为显着不同，尽管它们都促进其中一个偶氮甲碱键上的氧化反应。
• Mechanistic investigation of the aerobic oxidation of 2-pyridylacetate coordinated to a Ru(<scp>ii</scp>) polypyridyl complex
  作者：Sinval F. Sousa、Mehmed Z. Ertem、Leandro A. Faustino、Antonio Eduardo. H. Machado、Javier J. Concepcion、Pedro I. S. Maia、Antonio Otavio T. Patrocinio

  DOI：10.1039/d1dt02461b

  日期：——

  A new ruthenium polypyridyl complex, [Ru(bpy)2(acpy)]+ (acpy = 2-pyridylacetate, bpy = 2,2′-bipyridine), was synthesized and fully characterized. Distinct from the previously reported analog, [Ru(bpy)2(pic)]+ (pic = 2-pyridylcarboxylate), the new complex is unstable under aerobic conditions and undergoes oxidation to yield the corresponding α-keto-2-pyridyl-acetate (acpyoxi) coordinated to the RuII

  合成并充分表征了一种新的钌多吡啶配合物 [Ru(bpy) 2 (acpy)] + (acpy = 2-吡啶乙酸酯，bpy = 2,2'-联吡啶)。与之前报道的类似物 [Ru(bpy) 2 (pic)] + (pic = 2-pyridylcarboxylate) 不同，新的复合物在有氧条件下不稳定，经过氧化产生相应的 α-keto-2-pyridyl-acetate (acpyoxi) 协调到 Ru II中心。该反应是在温和条件下使用 O 2进行 C–H 活化的少数例子之一作为主要氧化剂，可以提供对催化具有重要意义的机理见解。这种有氧氧化转化的理论和实验研究表明，它分两步进行，首先产生 α-羟基-2-吡啶基乙酸酯类似物，然后是最终产物。观察到的第一次氧化的速率常数约为10 -2 h -1。反应在配位溶剂的存在下受阻，表明金属中心在该过程中的作用。对多个反应途径进行了 M06-L 理论水平的
• Norrby, Thomas; Boerje, Anna; Akermark, Bjoern, Inorganic Chemistry, 1997, vol. 36, # 25, p. 5850 - 5858
  作者：Norrby, Thomas、Boerje, Anna、Akermark, Bjoern、Hammarstroem, Leif、Alsins, Jan、Lashgari, Kianosh、Norrestam, Rolf、Martensson, Jerker、Stenhagen, Gunnar

  DOI：——

  日期：——
• Mechanism of oxidative dehydrogenation of alcohols co-ordinated to ruthenium
  作者：Michael J. Ridd、David J. Gakowski、Graeme E. Sneddon、F. Richard Keene

  DOI：10.1039/dt9920001949

  日期：——

  The oxidative dehydrogenation of the complexes [Ru(bipy)2(NC5H4CH2OH)]2+, [Ru(biPY)2(NC5H4CD2OH)]2+ and [Ru(bipy)2NC5H4CH(CH,)OH}]2+ to the corresponding carbonyl species [bipy = 2,2'-bipyridine; NC5H4CH2OH = 2-(hydroxymethyl)pyridine; NC5H4CD2OH = 2-(dideuteriohydroxymethyl) pyridine; NC5H4CH(CH3)OH = 2-(1-hydroxyethyl)pyridine] has been studied in aqueous solution by kinetic and electrochemical techniques. The mechanistic scheme was found to involve the intermediacy of a ruthenium(IV)-alkoxide species, formed by disproportionaton of the ruthenium(III) complex produced in the initial step of the oxidation process. The rate-determining removal of the proton from the alpha-carbon atom of the chelate ring is general-base catalysed.