[(tetramethylcyclopentadienyl)2Y(η3-allyl)] | 1234504-04-1

• 英文名称: [(tetramethylcyclopentadienyl)2Y(η3-allyl)]
• 英文别名: (C5Me4H)2Y(η3-C3H5)
• CAS: 1234504-04-1
• 化学式: C₂₁H₃₁Y
• 分子量: 372.383
• InChiKey: FTUFNGBELDOOST-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

• 作为反应物：
  描述：

  [(tetramethylcyclopentadienyl)2Y(η3-allyl)] 、 氘 以 正戊烷 为溶剂， 以9%的产率得到[(C5Me4H)2Y(μ-D)]2
  参考文献：
  名称：

  Synthesis and Reactivity of Bis(tetramethylcyclopentadienyl) Yttrium Metallocenes Including the Reduction of Me₃SiN₃ to [(Me₃Si)₂N]⁻ with [(C₅Me₄H)₂Y(THF)]₂(μ-η²:η²-N₂)

  摘要：

  The metallocene precursors needed to provide the tetramethylcyclopentadienyl yttrium complexes (C5Me4H)(3)Y, [(C5Me4H)(2)Y(THF)](2)(mu-eta(2):eta(2)-N-2), and [(C5Me4H)(2)Y(mu-H)](2) for reactivity studies have been synthesized and fully characterized, and their reaction chemistry has led to an unexpected conversion of an azide to an amide. (C5Me4H)(2)Y-(mu-Cl)(2)K(THF)(x), 1, synthesized from YCl3 and KC5Me4H reacts with allylmagnesium chloride to make (C5Me4H)(2)Y-(eta(3)-C3H5), 2, which is converted to [(C5Me4H)(2)Y][(mu-Ph)(2)BPh2], 3, with [Et3NH][BPh4]. Complex 3 reacts with KC5Me4H to form (C5Me4H)(3)Y, 4. The reduced dinitrogen complex, [(C5Me4H)(2)Y(THF)](2)(mu-eta(2):eta(2)-N-2), 5, can be synthesized from either [(C5Me4H)(2)Y](2)[(mu-Ph)(2)BPh2], 3, or (C5Me4H)(3)Y, 4, with potassium graphite under a dinitrogen atmosphere. The N-15 labeled analogue, [(C5Me4H)(2)Y(THF)](2)(mu-eta(2):eta(2)-N-15(2)), 5-N-15, has also been prepared, and the N-15 NMR data have been compared to previously characterized reduced dinitrogen complexes. Complex 2 reacts with H-2 to form the corresponding hydride, [(C5Me4H)(2)Y(mu-H)](2), 6. Complex 5 displays similar reactivity to that of the analogous [(C5Me4H)(2)Ln(THF)](2)(mu-eta(2):eta(2)-N-2) complexes (Ln = La, Lu), with substrates such as phenazine, anthracene, and CO2. In addition, 5 reduces Me3SiN3 to form (C5Me4H)(2)Y[N(SiMe3)(2)], 7.

  DOI：

  10.1021/ic100682d
• 作为产物：
  描述：

  (C5Me4H)2Y(μ-Cl)2K(THF)(x) 、 氯丙烯镁 在 1,4-dioxane 作用下， 以 四氢呋喃 、 正己烷 、 甲苯 为溶剂， 以85%的产率得到[(tetramethylcyclopentadienyl)2Y(η3-allyl)]
  参考文献：
  名称：

  Synthesis and Reactivity of Bis(tetramethylcyclopentadienyl) Yttrium Metallocenes Including the Reduction of Me₃SiN₃ to [(Me₃Si)₂N]⁻ with [(C₅Me₄H)₂Y(THF)]₂(μ-η²:η²-N₂)

  摘要：

  The metallocene precursors needed to provide the tetramethylcyclopentadienyl yttrium complexes (C5Me4H)(3)Y, [(C5Me4H)(2)Y(THF)](2)(mu-eta(2):eta(2)-N-2), and [(C5Me4H)(2)Y(mu-H)](2) for reactivity studies have been synthesized and fully characterized, and their reaction chemistry has led to an unexpected conversion of an azide to an amide. (C5Me4H)(2)Y-(mu-Cl)(2)K(THF)(x), 1, synthesized from YCl3 and KC5Me4H reacts with allylmagnesium chloride to make (C5Me4H)(2)Y-(eta(3)-C3H5), 2, which is converted to [(C5Me4H)(2)Y][(mu-Ph)(2)BPh2], 3, with [Et3NH][BPh4]. Complex 3 reacts with KC5Me4H to form (C5Me4H)(3)Y, 4. The reduced dinitrogen complex, [(C5Me4H)(2)Y(THF)](2)(mu-eta(2):eta(2)-N-2), 5, can be synthesized from either [(C5Me4H)(2)Y](2)[(mu-Ph)(2)BPh2], 3, or (C5Me4H)(3)Y, 4, with potassium graphite under a dinitrogen atmosphere. The N-15 labeled analogue, [(C5Me4H)(2)Y(THF)](2)(mu-eta(2):eta(2)-N-15(2)), 5-N-15, has also been prepared, and the N-15 NMR data have been compared to previously characterized reduced dinitrogen complexes. Complex 2 reacts with H-2 to form the corresponding hydride, [(C5Me4H)(2)Y(mu-H)](2), 6. Complex 5 displays similar reactivity to that of the analogous [(C5Me4H)(2)Ln(THF)](2)(mu-eta(2):eta(2)-N-2) complexes (Ln = La, Lu), with substrates such as phenazine, anthracene, and CO2. In addition, 5 reduces Me3SiN3 to form (C5Me4H)(2)Y[N(SiMe3)(2)], 7.

  DOI：

  10.1021/ic100682d

文献信息

• Facile Insertion of N₂O into Metal−Carbon Bonds of Metallocene Allyl Complexes to Form (RN₂O)⁻ Ligands
  作者：Selvan Demir、Elizabeth Montalvo、Joseph W. Ziller、Gerd Meyer、William J. Evans

  DOI：10.1021/om100917w

  日期：2010.12.13

  Attempts to generate a scandium metallocene oxide using N2O have revealed that N2O undergoes facile insertion into metal carbon bonds of allyl meiallocene complexes to form (RN2O)(-) ligands where R = C3H5. This has been demonstrated in reactions with the tetramethylcyclopentadienyl allyl complexes (C5Me4H)(2)M(eta(3)-C3H5)(M = Sc, Y) and the pentamethylcyclopentadienyl allyl compounds (C5Me5)(2)M(eta(3)-C3H5) (M = Y, Sm, La), which generate the insertion products [(C5Me4H)(2)M(mu-eta(1):eta(2)-ON=NC3H5)](2) (M = Sc, 1; Y, 2) and [(C5Me5)(2)M(mu-eta(1):eta(2)-ON=NC3H5)](2)(M = Y, 3; Sm, 4; La, 5), respectively.