[Ru2(CO)5(benzyl isocyanide)(3,5-di-tert-butylpyrazolate)2] | 476629-59-1

• 英文名称: [Ru2(CO)5(benzyl isocyanide)(3,5-di-tert-butylpyrazolate)2]
• CAS: 476629-59-1
• 化学式: C₃₅H₄₅N₅O₅Ru₂
• 分子量: 817.913
• InChiKey: GUBZQVVMNYPBFW-UHFFFAOYSA-N

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：

  [Ru2(CO)5(benzyl isocyanide)(3,5-di-tert-butylpyrazolate)2] 在 N₂ 作用下， 以 not given 为溶剂， 生成 [Ru₂(CO)4(benzyl isocyanide)(3,5-di-tert-butylpyrazolate)2]
  参考文献：
  名称：

  A Study of Unsaturated Pyrazolate-Bridged Diruthenium Carbonyl Complexes

  摘要：

  The reaction of Ru-3(CO)(12) with approximately 3 equiv of 3,5-di-tert-butylpyrazole, (dbpz)H, in hexane at 170 degreesC in a stainless steel autoclave afforded the unsaturated, pyrazolate-bridged diruthenium. complex [Ru-2(CO)(5)(dbpz)(2)] (2). The spectroscopic and structural analysis indicated that this compound contains a vacant coordination site at one axial position trans to the Ru-Ru linkage. This compound reacted with CO at room temperature to give the saturated complex [Ru-2(CO)(6)(dbpz)(2)] (1b); its structure is analogous to that of the previously determined complexes [Ru-2(CO)(6)(pz)(2)], pz = pyrazolate and 3,5-dimethyl pyrazolate, except that the equatorial CO ligands show a skew arrangement, an indication of steric constraints within the coordination sphere. Treatment of 2 with benzyl isocyanide or with pyridine in toluene leads to the formation of substitution products [Ru-2(CO)(4)(L)(dbpz)(2)], L = CNCH2Ph and pyridine, in which the incoming donor ligand occupies an equatorial position at the saturated Ru center. The structural significance of this pyrazolate-bridged diruthenium complex 2 is discussed.

  DOI：

  10.1021/om020445r
• 作为产物：
  描述：

  [Ru₂(CO)4(benzyl isocyanide)(3,5-di-tert-butylpyrazolate)2] 、 一氧化碳 以 二氯甲烷 为溶剂， 生成 [Ru2(CO)5(benzyl isocyanide)(3,5-di-tert-butylpyrazolate)2]
  参考文献：
  名称：

  A Study of Unsaturated Pyrazolate-Bridged Diruthenium Carbonyl Complexes

  摘要：

  The reaction of Ru-3(CO)(12) with approximately 3 equiv of 3,5-di-tert-butylpyrazole, (dbpz)H, in hexane at 170 degreesC in a stainless steel autoclave afforded the unsaturated, pyrazolate-bridged diruthenium. complex [Ru-2(CO)(5)(dbpz)(2)] (2). The spectroscopic and structural analysis indicated that this compound contains a vacant coordination site at one axial position trans to the Ru-Ru linkage. This compound reacted with CO at room temperature to give the saturated complex [Ru-2(CO)(6)(dbpz)(2)] (1b); its structure is analogous to that of the previously determined complexes [Ru-2(CO)(6)(pz)(2)], pz = pyrazolate and 3,5-dimethyl pyrazolate, except that the equatorial CO ligands show a skew arrangement, an indication of steric constraints within the coordination sphere. Treatment of 2 with benzyl isocyanide or with pyridine in toluene leads to the formation of substitution products [Ru-2(CO)(4)(L)(dbpz)(2)], L = CNCH2Ph and pyridine, in which the incoming donor ligand occupies an equatorial position at the saturated Ru center. The structural significance of this pyrazolate-bridged diruthenium complex 2 is discussed.

  DOI：

  10.1021/om020445r