(η5-pentamethylcyclopentadienyl)(η5-pentadienyl)ruthenium | 139407-22-0

• 英文名称: (η5-pentamethylcyclopentadienyl)(η5-pentadienyl)ruthenium
• CAS: 139407-22-0
• 化学式: C₁₅H₂₂Ru
• 分子量: 303.41
• InChiKey: JFAVMBUXOVXHSZ-FMFSYIAASA-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

• 作为产物：
  描述：

  [Cp*RuOMe]2 、 potassium pentadienide 以 四氢呋喃 为溶剂， 生成 (η5-pentamethylcyclopentadienyl)(η5-pentadienyl)ruthenium
  参考文献：
  名称：

  Half-open ruthenocenes derived from [Ru(C5Me5)Cl]4: syntheses, characterizations, and solid-state structures

  摘要：

  A variety of half-open ruthenocenes of the general formula Ru(C5Me5)(Pdl) have been prepared from [Ru(C5Me5)Cl]4. For C5H7 or alkylated or arylated pentadienyl groups (1-, 2-, or 3-C6H9; 2,3-C7H11; 2,4-C7H11; 1,5-(C6H5)2C5H5), their introductions were brought about by using their potassium salts. For the oxo dienyl analogues 2,4-OC6H9 or 3,5-OC6H9, the respective enone or enal could be utilized, which underwent deprotonation upon coordination in the presence of K2CO3. With HPdl = 2,4-(CF3)2C5H6, coordination is accompanied by the spontaneous elimination of HCl, yielding Ru(C5Me5)[2,4-(CF3)2C5H5]. A similar reaction led to Ru(C5Me4Et)[2,4-(CF3)2C5H5]. In addition to various spectroscopic studies, structural studies were carried out on the Pdl = 3-C6H9 and 3,5-OC6H9 complexes, as well as for Ru(C5Me4Et)[2,4-(CF3)2C5H5]. For the Pdl = 3-C6H9 complex, the space group is P2(1)/m with a = 7.598 (1) angstrom, b = 13.246 (2) angstrom, c = 7.526 (1) angstrom, beta = 96.429 (4)-degrees, and V = 752.7 angstrom 3 for Z = 2. For the oxo dienyl compound, the space group is P2(1)2(1)2(1), with a = 10.651 (2) angstrom, b = 11.925 (1) angstrom, c = 11.987 (2) angstrom, and V = 1522.4 angstrom 3 for Z = 4. For the 2,4-(CF3)2C5H5 compound, the space group is Cmc2(1) with a = 15.324 (3) angstrom, b = 8.785 (2) angstrom, c = 13.726 (2) angstrom, and V = 1847.8 angstrom 3 for Z = 4. The structures were refined to respective R (and R(w)) values of 0.026 (0.030), 0.034 (0.035), and 0.028 (0.031).

  DOI：

  10.1021/om00040a045

文献信息

• Bosch, H. William; Hund, Hans-Ulrich; Nietlispach, Daniel, Organometallics, 1992, vol. 11, # 6, p. 2087 - 2098
  作者：Bosch, H. William、Hund, Hans-Ulrich、Nietlispach, Daniel、Salzer, Albrecht

  DOI：——

  日期：——