{Ru(N,N'-dimethylformamide)6}(trifluormethanesulfonate)2 | 101461-83-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: {Ru(N,N'-dimethylformamide)6}(trifluormethanesulfonate)2
• 英文别名: [Ru(II)(DMF)6](triflate)2
• CAS: 101461-83-0
• 化学式: 2CF₃O₃S*6C₃H₇NO*Ru
• 分子量: 837.779
• InChiKey: RIJRKMBVDXEJNM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.25
• 重原子数：
  14.0
• 可旋转键数：
  1.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  77.51
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-甲基-1,2,4-三唑 、 {Ru(N,N'-dimethylformamide)6}(trifluormethanesulfonate)2 以 甲醇 为溶剂， 以46%的产率得到[Ru(II)(1-methyl-1,2,4-triazole)6](triflate)2
  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：

  、 N,N-二甲基甲酰胺 、 原甲酸三乙酯 以 N,N-二甲基甲酰胺 为溶剂， 以>80的产率得到{Ru(N,N'-dimethylformamide)6}(trifluormethanesulfonate)2
  参考文献：
  名称：

  通过钌 (IV) 中间体将钌 (III) 六胺笼络合物逐步脱氢为六亚胺钌 (II) 络合物

  摘要：

  Quand la sarcophagine est coordinee a Ru(III) elle subit une dehydrogenation oxydante Rapide，qui introduit un groupe imine dans la partie pontante du coordinat。Des oxydations 连续序列不包含 Ru(II)-六亚胺复合物。电影与热力学

  DOI：

  10.1021/ja00184a030

文献信息

• Bernhard, Paul; Bull, Daryl J.; Robinson, Ward T., Australian Journal of Chemistry, 1992, vol. 45, # 8, p. 1241 - 1254
  作者：Bernhard, Paul、Bull, Daryl J.、Robinson, Ward T.、Sargeson, Alan M.

  DOI：——

  日期：——