[(η⁵-C₅H₄)₂(CMe₂)]Ru₂(CO)₄Me₂ | 1520073-45-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(η⁵-C₅H₄)₂(CMe₂)]Ru₂(CO)₄Me₂
• 英文别名: Carbanide;carbon monoxide;5-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene;ruthenium(2+)
• CAS: 1520073-45-3
• 化学式: C₁₉H₂₀O₄Ru₂
• 分子量: 514.505
• InChiKey: GCNXXMVKPDWGLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  4
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  [(η⁵-C₅H₄)₂(CMe₂)]Ru₂(CO)₄Me₂ 以 苯 为溶剂， 反应 3.0h， 以56%的产率得到
  参考文献：
  名称：

  Intramolecular C–H Bond Activation in Bridged Dicyclopentadienyl Dimethyl Dinuclear Complexes

  摘要：

  Photolysis of the doubly bridged dicyclopentadienyl dimethyl dinuclear complexes [(eta(5)-C5H2R)(2)(SiMe2)(2)]-M-2(CO)(4)Me-2 (M = Ru, R = H (2a), Bu-t (2b); M = Fe, R = H (2c)) in benzene yields the corresponding methylene-bridged complexes [(eta(5)-C5H2R)(2)(SiMe2)(2)]M-2(CO)(2)(mu-CO)(mu-CH2) (3a-c) and the M-M-bonded complexes [(eta(5)-C5H2R)(2)(SiMe2)(2)]M-2(CO)(4) (1a-c). Irradiation of the analogous diethyl complex [(eta(5)-C5H2R)(2)(SiMe2)(2)]Ru-2(CO)(4)Et-2 (4) affords only 1a. Unlike the case for the doubly bridged complexes, photolysis of the singly bridged dicyclopentadienyl dimethyl diruthenium complexes [(eta(5)-C5H4)(2)(EMe2)]Ru-2(CO)(4)Me-2 (E = C (5a); E = Si (5b)) in benzene yields the corresponding "twisted" ruthenium methyl complexes with a cyclopentadienyl Ru sigma bond (eta(5),eta(5):eta(1)-C5H4(EMe2)C5H3)[Ru(CO)(2)][Ru(CO)(2)Me] (6a,b) and the similar phenyl complexes (eta(5),eta(5):eta(1)-C5H4(EMe2)C5H3)[Ru(CO)(2)][Ru(CO)(2)Ph] (7a,b), from reaction with the benzene solvent. Plausible mechanisms for the formation of the different types of products are proposed involving intramolecular C H bond activation. The molecular structures of 2a,c, 3a,c, 4, 5a, 6a, and 7h, determined by X-ray diffraction, are also presented.

  DOI：

  10.1021/om400986a
• 作为产物：
  描述：

  Ru2(CO)4(η(5),η(5)-C5H4(CH3)2CC5H4) 、 碘甲烷 在 sodium amalgam 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以52%的产率得到[(η⁵-C₅H₄)₂(CMe₂)]Ru₂(CO)₄Me₂
  参考文献：
  名称：

  Intramolecular C–H Bond Activation in Bridged Dicyclopentadienyl Dimethyl Dinuclear Complexes

  摘要：

  Photolysis of the doubly bridged dicyclopentadienyl dimethyl dinuclear complexes [(eta(5)-C5H2R)(2)(SiMe2)(2)]-M-2(CO)(4)Me-2 (M = Ru, R = H (2a), Bu-t (2b); M = Fe, R = H (2c)) in benzene yields the corresponding methylene-bridged complexes [(eta(5)-C5H2R)(2)(SiMe2)(2)]M-2(CO)(2)(mu-CO)(mu-CH2) (3a-c) and the M-M-bonded complexes [(eta(5)-C5H2R)(2)(SiMe2)(2)]M-2(CO)(4) (1a-c). Irradiation of the analogous diethyl complex [(eta(5)-C5H2R)(2)(SiMe2)(2)]Ru-2(CO)(4)Et-2 (4) affords only 1a. Unlike the case for the doubly bridged complexes, photolysis of the singly bridged dicyclopentadienyl dimethyl diruthenium complexes [(eta(5)-C5H4)(2)(EMe2)]Ru-2(CO)(4)Me-2 (E = C (5a); E = Si (5b)) in benzene yields the corresponding "twisted" ruthenium methyl complexes with a cyclopentadienyl Ru sigma bond (eta(5),eta(5):eta(1)-C5H4(EMe2)C5H3)[Ru(CO)(2)][Ru(CO)(2)Me] (6a,b) and the similar phenyl complexes (eta(5),eta(5):eta(1)-C5H4(EMe2)C5H3)[Ru(CO)(2)][Ru(CO)(2)Ph] (7a,b), from reaction with the benzene solvent. Plausible mechanisms for the formation of the different types of products are proposed involving intramolecular C H bond activation. The molecular structures of 2a,c, 3a,c, 4, 5a, 6a, and 7h, determined by X-ray diffraction, are also presented.

  DOI：

  10.1021/om400986a