[(η5-C5Me5)Ru(μ-hydrido)]2(μ-η2:η2-1,4-benzoquinone) | 1049970-21-9

• 英文名称: [(η5-C5Me5)Ru(μ-hydrido)]2(μ-η2:η2-1,4-benzoquinone)
• CAS: 1049970-21-9
• 化学式: C₂₆H₃₆O₂Ru₂
• 分子量: 582.711
• InChiKey: CXCJAJMFMVLQGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  [(η5-C5Me5)Ru(μ-hydrido)]2(μ-η2:η2-1,4-benzoquinone) 、 乙炔 以 氘代苯 为溶剂， 生成 [(η5-C5Me5)Ru]2(μ-hydrido)(μ-η2-vinyl)(μ-η2:η2-1,4-benzoquinone)
  参考文献：
  名称：

  Preparation and Properties of Diruthenium Hydrido Complexes Having a Bridging Benzoquinone Ligand: Formation of an Alcohol Adduct of a μ-η²:η²-Benzoquinone Complex through Hydrogen Bonding

  摘要：

  Diruthenium hydrido complexes containing a bridging 1,4-benzoquinone ligand, {Cp*Ru(mu-H)}(2)(mu-eta(2):eta(2))-C6H3RO2) (2a, R = H; 2b, R = Me, Cp* = eta(5)-C5Me5), were synthesized by the reaction of a diruthenium tetrahydrido complex, Cp*Ru(mu-H)(4)RuCp* (1), with 1,4-benzoquinone and 2-methyl-1,4-benzoquinone. Spectroscopic data unambiguously indicated that the hydrogen bond between the quinonoid oxygen atoms of 2 and alcohol molecules changed the electronic nature of the metal center such that it was significantly different from that in aprotic solvent. Therefore, the rate of the reaction of 2a with acetylene, which afforded a mu-eta(2)-vinyl-mu-eta(2):eta(2)-benzoquinone complex, (Cp*Ru)(2)(mu-H)(mu-eta(2)-CH = CH2)(mu-eta(2):eta(2)- C6H4O2) (3), in methanol was 3 times the rate of reaction in benzene.

  DOI：

  10.1021/om800363f
• 作为产物：
  描述：

  tetra-μ-hydrido-bis[(pentamethyl-η5-cyclopentadienyl)ruthenium] 、 对苯醌 以 甲苯 为溶剂， 以94%的产率得到[(η5-C5Me5)Ru(μ-hydrido)]2(μ-η2:η2-1,4-benzoquinone)
  参考文献：
  名称：

  Preparation and Properties of Diruthenium Hydrido Complexes Having a Bridging Benzoquinone Ligand: Formation of an Alcohol Adduct of a μ-η²:η²-Benzoquinone Complex through Hydrogen Bonding

  摘要：

  Diruthenium hydrido complexes containing a bridging 1,4-benzoquinone ligand, {Cp*Ru(mu-H)}(2)(mu-eta(2):eta(2))-C6H3RO2) (2a, R = H; 2b, R = Me, Cp* = eta(5)-C5Me5), were synthesized by the reaction of a diruthenium tetrahydrido complex, Cp*Ru(mu-H)(4)RuCp* (1), with 1,4-benzoquinone and 2-methyl-1,4-benzoquinone. Spectroscopic data unambiguously indicated that the hydrogen bond between the quinonoid oxygen atoms of 2 and alcohol molecules changed the electronic nature of the metal center such that it was significantly different from that in aprotic solvent. Therefore, the rate of the reaction of 2a with acetylene, which afforded a mu-eta(2)-vinyl-mu-eta(2):eta(2)-benzoquinone complex, (Cp*Ru)(2)(mu-H)(mu-eta(2)-CH = CH2)(mu-eta(2):eta(2)- C6H4O2) (3), in methanol was 3 times the rate of reaction in benzene.

  DOI：

  10.1021/om800363f