(C₅Me₅)₂Y(μ-Cl)(μ-η¹:η⁵-CH₂C₅Me₄)Y(C₅Me₅) | 1392226-66-2

• 英文名称: (C₅Me₅)₂Y(μ-Cl)(μ-η¹:η⁵-CH₂C₅Me₄)Y(C₅Me₅)
• CAS: 1392226-66-2
• 化学式: C₄₀H₅₉ClY₂
• 分子量: 753.173
• InChiKey: GEINKUDHNIERTI-UHFFFAOYSA-M

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

• 作为反应物：
  描述：

  (C₅Me₅)₂Y(μ-Cl)(μ-η¹:η⁵-CH₂C₅Me₄)Y(C₅Me₅) 、 苯乙炔 以 甲基环己烷 为溶剂， 反应 0.5h， 以93%的产率得到(C₅Me₅)₂Y(μ-Cl)(C≡CPh)Y(C₅Me₅)₂
  参考文献：
  名称：

  Reactivity of the Y³⁺ Tuck-Over Hydride Complex, (C₅Me₅)₂Y(μ-H)(μ-CH₂C₅Me₄)Y(C₅Me₅)

  摘要：

  The trivalent yttrium tuck-over hydride complex, (C5Me5)(2)Y(mu-H)(mu-eta(1):eta(5)-CH2C5Me4)Y(C5Me5), 1, acts as a reductant in reactions in which the (mu-H)(-) hydride ligand and the bridging Y-C alkyl anion linkage in the mu-eta(1):eta(5)-CH2C5Me4)(2-) ligand combine to form a C-H bond in (C5Me5)(-) and deliver two electrons to a substrate. Complex 1 reacts with PhSSPh, AgOTf (OTf = OSO2CF3), and Et3NHBPh4 to form [(C5Me5)(2)Y(mu-SPh)](2), [(C5Me5)(2)Y(mu-OTf)](2), and (C5Me5)(2)Y(mu-Ph)(2)BPh2, respectively. The reactivity of the Y-H and Y-CH2C5Me4 linkages in 1 was probed via carbodiimide insertion reactions. (PrN)-Pr-i=C=(NPr)-Pr-i inserts into both Y-H and Y-C bonds to yield (C5Me5)[(PrNC)-Pr-i(H)(NPr)-Pr-i]Y{mu-eta(5)-C5Me4CH2[(PrNCNPr)-Pr-i-Pr-i]}Y(C5Me5)(2). Carbodiimide insertion with [(C5Me5)(2)YH](2), 2, was also examined for comparison, and (C5Me5)(2)Y[(PrNC)-Pr-i(H)(NPr)-Pr-i-kappa N-2,N'] was isolated and structurally characterized. To examine the possibility of selective reactivity of the bridging ligands, mu-H versus mu-CH2C5Me4, trimethylsilylchloride was reacted with 1, and the tuck-over chloride complex, (C5Me5)(2)Y(mu-Cl)(mu-eta(1):eta(5)-CH2C5Me4)Y(C5Me5), was isolated.

  DOI：

  10.1021/om300546t
• 作为产物：
  描述：

  bis(pentamethylcyclopentadienyl)yttrium(μ-chloro)yttrium chlorobis(pentamethylcyclopentadienyl) 、 (C₅Me₅)₂Y(μ-H)(μ-η¹:η⁵-CH₂C₅Me₄)Y(C₅Me₅) 以 甲基环己烷 为溶剂， 生成 (C₅Me₅)₂Y(μ-Cl)(μ-η¹:η⁵-CH₂C₅Me₄)Y(C₅Me₅)
  参考文献：
  名称：

  Synthesis, Structure, and Reactivity of the Ethyl Yttrium Metallocene, (C₅Me₅)₂Y(CH₂CH₃), Including Activation of Methane

  摘要：

  (C5Me5)(2)Y(mu-Ph)(2)BPh2, 1，与乙基锂在-15°C下反应生成(C5Me5)(2)Y(CH2CH3), 2。该化合物在室温下热力学不稳定，并形成了C-H键活化产物(C5Me5)(2)Y(mu-H)(mu-eta(1):eta(5)-CH2C5Me4)Y(C5Me5), 3，其中含有一个金属化的(C5Me5)(1-)配体。通过低温下的光谱分析获得了2的证据，并与(PrNC)-Pr-i-(NPr)-Pr-i和CO2进行捕捉实验，得到了Y-CH2CH3插入产物：(C5Me5)(2)Y-[(PrNC)-Pr-i(Et)(NPr)-Pr-i-kappa N-2,N'], 4，和[(C5Me5)(2)Y(mu-O2CEt)](2), 5。尽管2具有高度反应性，但低温分离方法允许分离出单晶，揭示了一个82.6(2)度的Y-CH2-CH3键角，这与固体状态下的agostic结构一致。2与苯和甲苯反应分别生成(C5Me5)(2)YPh, 7，和(C5Me5)(2)YCH2Ph, 8。2与[(C5Me5)(2)YCl](2)反应生成(C5Me5)(2)Y(mu-Cl)(mu-eta(1):eta(5)-CH2C5Me4)Y(C5Me5)，其中(C5Me5)(1-)配体被金属化。甲烷的C-H键活化也与2反应，生成[(C5Me5)(2)YMe](2), 9。

  DOI：

  10.1021/jacs.5b08597