{Ru(η6-C6H6)(2,6-(3,5-dimethylpyrazol-1-ylmethyl)pyridine)Cl}PF6 | 155209-37-3

• 英文名称: {Ru(η6-C6H6)(2,6-(3,5-dimethylpyrazol-1-ylmethyl)pyridine)Cl}PF6
• 英文别名: [ruthenium(II)(η6-benzene)(2-(3,5-dimethyl-pyrazol-1-ylmethyl)pyridine)(chloride)](PF6)
• CAS: 155209-37-3
• 化学式: C₁₇H₁₉ClN₃Ru*F₆P
• 分子量: 546.845
• InChiKey: DDXZEMYYQQNDTD-UHFFFAOYSA-M

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：

  sodium cyanide 、 {Ru(η6-C6H6)(2,6-(3,5-dimethylpyrazol-1-ylmethyl)pyridine)Cl}PF6 以 乙醇 为溶剂， 以75%的产率得到[ruthenium(II)(η6-benzene)(2-(3,5-dimethyl-pyrazol-1-ylmethyl)pyridine)(cyanide)](PF6)
  参考文献：
  名称：

  [(η6-C6H6)RuII(L)(Cl/N3/CN/CH3CN)]+/2+ complexes of non-planar pyrazolylmethylpyridine ligands: Formation of helices due to C–H⋯X (X = Cl, N) interaction

  摘要：

  Structural analysis of a previously reported half-sandwich complex having three-legged "piano-stool" geometry [(eta(6)-C6H6)Ru-II(L-1)Cl][PF6] (1) (L-1 = 2-(pyrazol-1-ylmethyl)pyridine) is described. Treatment of 1 with (i) Ag(CF3SO3) in CH3CN and (ii) NaN3 in CH3OH, and (iii) the reaction between [(eta(6)-C6H6)Ru(L-2)Cl][PF6] (2) (previously reported) and NaCN in C2H5OH led to the isolation of [(eta(6)-C6H6)Ru(L-1)(CH3CN)][PF6](2) (3), [(eta(6)-C6H6)Ru(L-1)(N-3)][PF6] (4), and [(eta(6)-C6H6)Ru(L-2)(CN)][PF6] (5), respectively (L-2 = 2-(3,5-dimethylpyrazol-1-ylmethyl)pyridine). The complex [(eta(6)-C6H6)Ru(L-4)Cl][PF6] (6) with a new ligand (L-4 2-[3-(4-fluorophenyl) pyrazol-1-ylmethyl]pyridine) has also been synthesized. The structures of 3-6 have been elucidated ((1)HNMRspectra; CD3CN). The molecular structures of 1, 4, and 6 center dot C6H5CH3 have been determined. Notably, the crystal-packing in these structures is governed by C-H center dot center dot center dot X (X = Cl, N) interactions, generating helical architectures. (C) 2010 Published by Elsevier B.V.

  DOI：

  10.1016/j.jorganchem.2010.03.022
• 作为产物：
  描述：

  [RuCl2(benzene)]2 、 ammonium hexafluorophosphate 、 2-(3,5-dimethylpyrazol-1-ylmethyl)pyridine 以 甲醇 为溶剂， 生成 {Ru(η6-C6H6)(2,6-(3,5-dimethylpyrazol-1-ylmethyl)pyridine)Cl}PF6
  参考文献：
  名称：

  New piano-stool ruthenium(II) complexes of benzene and bidentate/tridentate nitrogen-donor ligands: synthesis and characterization

  摘要：

  New piano-stool ruthenium(II) complexes, [Ru(eta6-C6H6)L1]2+, [Ru(eta6-C6H6)(L2)Cl]+, [Ru(eta6-C6H6) (L3)Cl]+, [Ru(eta-C6H6)(L4)Cl]+ and [Ru(eta6-C6H6)(L5)Cl]+ have been isolated as their hexafluorophosphate salts by bridge-cleavage reactions of [{Ru(eta6-C6H6)Cl2}2] in methanol with the potentially tri- and bi-dentate nitrogen-containing ligands [2-(2-pyridyl)ethyl] (2-pyridylmethyl)methylamine (L1), 2,6-bis(pyrazol-1-ylmethyl)pyridine (L2) and its tetramethyl-substituted derivative (L3), 2-(pyrazol-1-ylmethyl)pyridine (L4) and its dimethyl derivative (L5). The structures of these compounds in MeCN solution have been elucidated by H-1 NMR spectroscopy. The complex [Ru(eta6-C6H6)L1][PF6]2 has been characterized by single-crystal X-ray crystallography: triclinic, space group P1BAR (no. 2), a = 7.790(3), b = 10.039(3), c = 16.679(5) angstrom, alpha = 88.31(2), beta = 83.15(3), gamma = 77.19(3)degrees and Z = 2. The structure has been refined to an R factor of 0.063 based on 5330 observed reflections. Average Ru-C and Ru-N (two types) bond lengths are 2.202(6) and 2.114(5) and 2.170(5) angstrom respectively.

  DOI：

  10.1039/dt9940000465