bis(η5-1,3-dimethylcyclopentadienyl)ruthenium

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: bis(η5-1,3-dimethylcyclopentadienyl)ruthenium
• 英文别名: bis(η5-2,4-dimethylpentadienyl)ruthenium(II)
• 化学式: C₁₄H₁₈Ru
• 分子量: 287.367
• InChiKey: HNBBOCXZNIHWPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  (η5-1,3-dimethylcyclopentadienyl)(η5-2,4-dimethyl-1,3-pentadienyl)ruthenium 以 gas 为溶剂， 生成 bis(η5-1,3-dimethylcyclopentadienyl)ruthenium
  参考文献：
  名称：

  Electrocyclic reactions of open metallocenes: carbon-carbon bond formation during thermolysis of bis(2,4-dimethyl-1,3-pentadienyl)ruthenium and -osmium

  摘要：

  Gas-phase pyrolysis of (eta(5)-2,4-Me2C5H5)2Ru at 450-degrees-C results in disrotatory, electrocyclic closure and subsequent dehydrogenation of one of the pentadienyl ligands to a 1,3-dimethylcyclopentadienyl ligand in approximately 80% yield, > 95% conversion. Similar chemistry was observed for (eta(5)-2,4-Me2C5H5)2Os at 500-degrees-C, while (eta(5)-2,4-Me2C5H5)2Fe decomposes above 250-degrees-C. The mixed-ligand complex (eta(5)-2,4-Me2C5H5)Ru(eta-5-1,3-Me2C5H3) reacts further at 500-degrees-C to produce (eta(5)-1,3-Me2C5H3)2Ru.

  DOI：

  10.1021/om00038a001

文献信息

• Synthesis of unsymmetrical ruthenocenes by gas phase electrocyclic reactions of pentadienylruthenium complexes
  作者：Rein U. Kirss、Ahadul Quazi、Charles H. Lake、Melvyn Rowen Churchill

  DOI：10.1021/om00034a058

  日期：1993.10

  Reduction of RuCl3.3H2O with zinc in the presence of 5,5-dimethylcyclohexadiene yields bis(6,6-dimethylcyclohexadienyl)ruthenium (3). Similar reactions of [Cp*RuCl2]n with 2,4-di-tert-butylpentadiene and 5,5-dimethylcyclohexadiene yield two new ruthenium pentadienyl compounds Cp*Ru(2,4-di-tert-butylpentadienyl) (4) and Cp*Ru(eta5-6,6-dimethylcyclohexadienyl) (5), respectively. Gas phase pyrolysis of Cp*Ru(eta5-2,4-dimethylpentadienyl) (1), Cp*Ru(eta5-cyclooctadienyl) (2), Cp*Ru(2,4-di-tert-butylpentadienyl) (4), and bis(eta-2,4-dimethylpentadienyl)ruthenium (9) at 400-450-degrees-C led to electrocyclic reaction and yielded Cp*Ru(eta5-1,3-dimethylcyclopentadienyl) (6), Cp*Ru(eta5-1,2-dihydropentalenyl) (7), Cp*Ru(eta5-1,3-di-tert-butylcyclopentadienyl) (8), and Ru(eta5-1,3-dimethylcyclopentadienyl) (11), respectively. Ru(eta5-6,6-dimethylcyclohexadienyl)2 (3) was not volatile under these conditions while Cp*Ru(eta5-6,6-dimethylcyclohexadienyl) (5) survived the pyrolysis unchanged. Single crystal X-ray diffraction studies were completed on 9 and 11. Monoclinic 9 crystallized in the P2(1)/c space group with a = 8.5945(17) angstrom, b = 13.3257(31) angstrom, c = 12.0851(22) angstrom, and beta = 110.670(14)degrees. Monoclinic 11 crystallized in the P2(1)/n space group with a = 10.332(3) angstrom, b = 8.807(2) angstrom, c = 13.884(3) angstrom, and beta = 106.27(2)degrees.
• Electrocyclic reactions of open metallocenes: carbon-carbon bond formation during thermolysis of bis(2,4-dimethyl-1,3-pentadienyl)ruthenium and -osmium
  作者：Rein U. Kirss

  DOI：10.1021/om00038a001

  日期：1992.2

  Gas-phase pyrolysis of (eta(5)-2,4-Me2C5H5)2Ru at 450-degrees-C results in disrotatory, electrocyclic closure and subsequent dehydrogenation of one of the pentadienyl ligands to a 1,3-dimethylcyclopentadienyl ligand in approximately 80% yield, > 95% conversion. Similar chemistry was observed for (eta(5)-2,4-Me2C5H5)2Os at 500-degrees-C, while (eta(5)-2,4-Me2C5H5)2Fe decomposes above 250-degrees-C. The mixed-ligand complex (eta(5)-2,4-Me2C5H5)Ru(eta-5-1,3-Me2C5H3) reacts further at 500-degrees-C to produce (eta(5)-1,3-Me2C5H3)2Ru.