[(η5-pentamethylcyclopentadienyl)Os(H)2(μ-PhCCHC6H4)Os(η5-pentamethylcyclopentadienyl)] | 960222-17-7

• 英文名称: [(η5-pentamethylcyclopentadienyl)Os(H)2(μ-PhCCHC6H4)Os(η5-pentamethylcyclopentadienyl)]
• CAS: 960222-17-7
• 化学式: C₃₄H₄₂Os₂
• 分子量: 831.107
• InChiKey: NWCZFTXSVBUOMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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

• 作为产物：
  描述：

  tetrahydridobis(pentamethylcyclopentadienyl)diosmium(III) 、 二苯基乙炔 以 四氢呋喃 为溶剂， 以54%的产率得到[(η5-pentamethylcyclopentadienyl)Os(H)2(μ-PhCCHC6H4)Os(η5-pentamethylcyclopentadienyl)]
  参考文献：
  名称：

  Reaction of a Heterobimetallic Polyhydrido Cluster, [Cp*Ru(μ-H)₄OsCp*] (Cp* = η⁵-C₅Me₅), with Diphenylacetylene. Regioselective C−H Bond Activation at the Osmium Center

  摘要：

  The reactivity of a heterobimetallic polyhydrido complex [Cp*Ru(mu-H)(4)OsCP*] (1) toward diphenylacetylene is studied to elucidate the roles of each metal atom in the substrate activation step. The reaction of 1 with an equivalent of diphenylacetylene exclusively produces a eta(2)-trans-stilbene complex [Cp*Ru( mu-H)2(mu-trans-PhHC=CHPh)OsCp*] (8), in which trans-stilbene is coordinated to the osmium metal by way of the)eta(2)-cis-stilbene complex [Cp*Ru(mu-H)2(mu-cis-PhHC=CHPh)OsCp*] (10). Treatment of I with an excess amount of diphenylacetylene yields [Cp*Ru(U-H)(mu-eta(1):eta(2)-cis-PhC=CHPh)(trans-PhHC= C HPh)OsCp*] (11) via complex 8. Intermediacy of 8 in the formation of 11 is confirmed by the reaction of 8 with diphenylacetylene. Themolysis of 11 in C6D6 at 50 degrees C generates a mu-perpendicularly coordinated diphenylacetylene complex [Cp*Ru(mu-H)2(mu-eta(2):eta(2)-PhCCPh)OsCp*] (12) and a benzo-osmacyclopentadiene complex [Cp*Os(mu-PhC=CH-C6H4-)H2RuCp*] (13) together with trans-stilbene. Complex 8 is converted into 13 even in the absence of added diphenylacetylene. Upon heating of 8 in THF, 13 is formed as a result of the C(Sp(2))-H bond cleavage and subsequent intramolecular activation of the C(ortho)-H bond at the osmium center. The molecular structures Of [(C5Me4Et)Ru(mu-H)2(,mu-trans-PhHC=CHPh)OsCp*] (8'), [(C5Me4Et)Ru(mu-H)(mu-eta 1:eta 2-cis-PhC=CHPh)(trans-Ph HC=CHPh)OsCp*] (11'), 12, [Cp*Os(mu-PhC= CH-C6H4-)H2Ru(C5Me4Et)] (13') and [Cp*Os(mu-PhC=CH-C6H4-)H2OSCP*] (15) are determined by X-ray studies.

  DOI：

  10.1021/om700606q