K(fac-[RuCl(tetramethylene sulfoxide-S)3(η2-2,2-diethylmalonate-O,O')]) | 1163252-82-1

• 英文名称: K(fac-[RuCl(tetramethylene sulfoxide-S)3(η2-2,2-diethylmalonate-O,O')])
• CAS: 1163252-82-1
• 化学式: C₁₉H₃₄ClO₇RuS₃*K
• 分子量: 646.294
• InChiKey: DIVJRDXJCULEMB-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：

  K(fac-[RuCl(tetramethylene sulfoxide-S)3(η2-2,2-diethylmalonate-O,O')]) 、 水 以 水 为溶剂， 生成 fac-[Ru(tetramethylene sulfoxide-S)3(H2O)(μ2-2,2-diethylmalonate-O,O')]2
  参考文献：
  名称：

  The first report on specific binding mode of diethylmalonate acting as a bridging ligand between ruthenium (II) ions stabilized by intramolecular hydrogen bonds

  摘要：

  Typically 2,2-diethylmalonate (dem) acts as a chelating ligand and binds to the metal in a eta(2) (dem-O, O') mode. However, when cis, fac-[RuCl2(TMSO-S)(4)] is treated with K-2(dem), it prefers to bind in an unusual bridging mode (mu-dem-O, O') with the ruthenium (II) cation containing coordinated water, forming a strong hydrogen bond with the non-coordinated oxygen atoms of the 2,2-diethylmalonate ligand. The reaction products of cis,fac-[RuCl2(TMSO-S)(4)] (1) and cis, fac-[RuCl2(DMSO-S)(3)(DMSO-O)] (2) with dem are the dinuclear species with two bridging dem units, fac-[Ru(TMSO-S)(3)(H2O)(mu(2)-dem-O, O')](2) (3) and fac-[Ru(DMSO-S)(3)(H2O)(mu(2)-dem-O, O')](2) (4), respectively. The complex 3 was characterized by X-ray crystallography in which water ligands occupy anti positions with respect to each other. The NMR and X-ray study support each other with respect to dinuclear structure of 3 and 4, indicating that the dinuclear structure observed in the solid state is preserved in solution as well. The mononuclear anionic complex with chelating dem unit, K{fac-[RuCl(eta(2)-dem-O, O')(TMSO-S)(3)} (5), was also isolated from the reaction of 1 and K-2(dem) demonstrating that 5 is an intermediate in the formation of 3. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.12.003
• 作为产物：
  描述：

  dipotassium 2,2-diethylmalonate 、 RuCl2(tmso)4 以 甲醇 为溶剂， 以60%的产率得到K(fac-[RuCl(tetramethylene sulfoxide-S)3(η2-2,2-diethylmalonate-O,O')])
  参考文献：
  名称：

  The first report on specific binding mode of diethylmalonate acting as a bridging ligand between ruthenium (II) ions stabilized by intramolecular hydrogen bonds

  摘要：

  Typically 2,2-diethylmalonate (dem) acts as a chelating ligand and binds to the metal in a eta(2) (dem-O, O') mode. However, when cis, fac-[RuCl2(TMSO-S)(4)] is treated with K-2(dem), it prefers to bind in an unusual bridging mode (mu-dem-O, O') with the ruthenium (II) cation containing coordinated water, forming a strong hydrogen bond with the non-coordinated oxygen atoms of the 2,2-diethylmalonate ligand. The reaction products of cis,fac-[RuCl2(TMSO-S)(4)] (1) and cis, fac-[RuCl2(DMSO-S)(3)(DMSO-O)] (2) with dem are the dinuclear species with two bridging dem units, fac-[Ru(TMSO-S)(3)(H2O)(mu(2)-dem-O, O')](2) (3) and fac-[Ru(DMSO-S)(3)(H2O)(mu(2)-dem-O, O')](2) (4), respectively. The complex 3 was characterized by X-ray crystallography in which water ligands occupy anti positions with respect to each other. The NMR and X-ray study support each other with respect to dinuclear structure of 3 and 4, indicating that the dinuclear structure observed in the solid state is preserved in solution as well. The mononuclear anionic complex with chelating dem unit, K{fac-[RuCl(eta(2)-dem-O, O')(TMSO-S)(3)} (5), was also isolated from the reaction of 1 and K-2(dem) demonstrating that 5 is an intermediate in the formation of 3. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.12.003