(pyrazolium)[trans-Ru(III)Cl4(pyrazole)2] | 124951-57-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (pyrazolium)[trans-Ru(III)Cl4(pyrazole)2]
• 英文别名: 1H-pyrazole;1H-pyrazol-2-ium;trichlororuthenium;chloride
• CAS: 124951-57-1
• 化学式: C₃H₅N₂*C₆H₈Cl₄N₄Ru
• 分子量: 448.124
• InChiKey: WAENLLBNYSWPTR-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  吡唑 、 (pyrazolium)[trans-Ru(III)Cl4(pyrazole)2] 以 乙醇 、 水 为溶剂， 以3%的产率得到
  参考文献：
  名称：

  Tuning of Redox Properties for the Design of Ruthenium Anticancer Drugs:  Part 2. Syntheses, Crystal Structures, and Electrochemistry of Potentially Antitumor [Ru^III/IICl_6-n(Azole)_n]^z (n = 3, 4, 6) Complexes

  摘要：

  A series of mixed chloro-azole ruthenium complexes with potential antitumor activity, viz., rner-[(RuCl3)-Cl-III(azole)(3)] (B), trans[(RuCl2)-Cl-III(azole)(4)]Cl (C), trans-[(RuCl2)-Cl-II(azole)(4)] (D), and [Ru-II(azole)(6)](SO3CF3)(2) (E), where azole = 1-butylimidazole (1), imidazole (2), benzimidazole (3), 1-methyl-1,2,4-triazole (4), 4-methylpyrazole (5), 1,2,4-triazole (6), pyrazole (7), and indazole (8), have been prepared as a further development of anticancer drugs with the general formula [RuCl4(azole)(2)](-) (A). These compounds were characterized by elemental analysis, IR spectroscopy, electronic spectra, electrospray mass spectrometry, and X-ray crystallography. The electrochemical behavior has been studied in detail in DMF, DMSO, and aqueous media using cyclic voltammetry, square wave voltammetry, and controlled potential electrolysis. Compounds B and a number of C complexes exhibit one Ru-III/Ru-II reduction, followed, at a sufficiently long time scale, by metal dechlorination on solvolysis. The redox potential values in organic media agree with those predicted by Lever's parametrization method, and the yet unknown E-L parameters were estimated for 1 (E-L = 0.06 V), 3 (E-L = 0.10 V), 4 (E-L = 0.17 V), and 5 (E-L = 0.18 V). The E-L values for the azole ligands 1-8 correlate linearly with their basicity (pK(a) value of the corresponding azolium acid H2L+). In addition, a logarithmic dependence between the homogeneous rate constants for the reductively induced stepwise replacement of chloro ligands by solvent molecules and the Ru-III/Ru-II redox potentials was observed. Lower E-1/2 values (higher net electron donor character of the ligands) result in enhanced kinetic rate constants of solvolysis upon reduction. The effect of the net charge on the Ru-III/Ru-II redox potentials in water is tentatively explained by the application of the Born equation. In addition, the pH-dependent electrochemical behavior of trans-[RuCl2(1,2,4-triazole)(4)]Cl is discussed.

  DOI：

  10.1021/ic0503737
• 作为产物：
  描述：

  盐酸 、 吡唑 、 rhodium(III) chloride hydrate 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 73.0h， 以71%的产率得到(pyrazolium)[trans-Ru(III)Cl4(pyrazole)2]
  参考文献：
  名称：

  簇中的亚硝酰基钌部分：三核线性 μ-羟基镁(II)-二钌(II)、μ3-氧化三核二铁(III)–钌(II) 和四核 μ4-氧化三镓(III)-钌(II)配合物

  摘要：

  钌亚硝酰基部分，{RuNO} 6 ，作为一氧化氮的潜在释放剂很重要，并且在配位化学中具有固有的意义。通常，{RuNO} 6存在于单核配合物中。在此，我们描述了包含该单元的几种多金属簇络合物的合成和表征。具体而言，异三核μ 3 -氧化物簇[Fe 2 RuCl 4 (μ 3 -O)(μ-OMe)(μ-pz) 2 (NO)(Hpz) 2 ] ( 6 )和[Fe 2 RuCl 3 (μ 3 -O)(μ-OMe)(μ-pz) 3 (MeOH)(NO)(Hpz)][Fe 2 RuCl 3 (μ 3 -O)(μ-OMe)(μ-pz) 3 (DMF) (NO)(Hpz)] ( 7 ·MeOH·2H 2 O) 和异四核 μ 4 -氧化配合物 [Ga 3 RuCl 3 (μ 4 -O)(μ-OMe) 3 (μ-pz) 4 (NO) ] ( 8 ) 由反式-[Ru(OH)(NO)(Hpz) 4 ]Cl 2 ( 5

  DOI：

  10.1021/acs.inorgchem.1c03011

文献信息

• Ruthenium Carbonyl Complexes with Azole Heterocycles – Synthesis, X‐ray Diffraction Structures, DFT Calculations, Solution Behavior, and Antiproliferative Activity
  作者：Paul‐Steffen Kuhn、Samuel M. Meier、Katarina K. Jovanović、Isolde Sandler、Leon Freitag、Ghenadie Novitchi、Leticia González、Siniša Radulović、Vladimir B. Arion

  DOI：10.1002/ejic.201501393

  日期：2016.4

  [(DMSO)2H][trans-RuCl4(CO)(DMSO)] with different azole heterocycles in dichloromethane afforded five similar complexes, which were isolated as azolium salts (H2azole)[trans-RuCl4(CO)(Hazole)] [Hazole = 1H-indazole (2), 1-methylindazole (3), 2-methylindazole (4), 1H-imidazole (5), and 1H-benzimidazole (6)]. Complexes 2–6 were characterized by elemental analysis, high-resolution electrospray ionization (ESI) mass

  (H2azole)[trans-RuCl4(Hazole)2] [Hazole = 1H-pyrazole (Hpz), 1H-indazole (Hind), 1-methylindazole (1-Me-ind), or 1H-benzimidazole (Hbzim) 的反应] 与 12 M HCl 和甲酸的 1:1 混合物形成反式-[RuCl4(CO)(Hazole)]– 复合物，通过 X 射线衍射将其分离并鉴定为 nBu4N[trans-RuCl4(CO) )(Hpz)] (1a), nBu4N[trans-RuCl4(CO)(Hind)] (2a), [(Hind)2H][trans-RuCl4(CO)(Hind)] (2b), nBu4N[trans- RuCl4(CO)(1-Me-ind)] (3a) 和 nBu4N[trans-RuCl4(CO)(Hbzim)] (6a)，而与