[Nb(η5-C5H4SiMe2(CH2CH=CH2))(η5-C5H5)Cl(NtBu)] | 850414-77-6

• 英文名称: [Nb(η5-C5H4SiMe2(CH2CH=CH2))(η5-C5H5)Cl(NtBu)]
• CAS: 850414-77-6
• 化学式: C₁₉H₂₉ClNNbSi
• 分子量: 427.891
• InChiKey: OQGIEYKODPTKFL-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

• 作为产物：
  描述：

  [Nb(η5-C5H4SiMe2(CH2CH=CH2))Cl2(N(t)Bu)] 、 lithium cyclopentadienide 以 正己烷 为溶剂， 以75%的产率得到[Nb(η5-C5H4SiMe2(CH2CH=CH2))(η5-C5H5)Cl(NtBu)]
  参考文献：
  名称：

  Synthesis and characterization of η5-cyclopentadienyl–silylallyl niobium and tantalum complexes

  摘要：

  Reaction of the disilylcyclopentadiene 1,1-[SiMe2(CH2CH=CH2)](2)C5H4 with NbCl5 gave the new allylsilyl-substituted monocyclopentadienyl niobium complex [Nb{eta(5)-C5H4SiMe2(CH2CH=CH2)}Cl-4]. This compound was reacted with LiNHtBu or NH(2)tBu to give the imido derivative [Nb{eta(5)-C5H4SiMe2(CH2CH=CH2) (NtBu)Cl-2], which was further alkylated to the imido alkyl complexes [Nb{eta(5)-C5H4SiMe2(CH2CH=CH2)}(NtBu)Cl-2] (R=Me, CH2Ph) and [Nb{eta(5)-C5H4SiMe2(CH2CH=CH2)}(NtBu)Cl (CH2Ph)]. Reaction of the imido complexes with the corresponding lithium cyclopentadienides gave the dicyclopentadienyl-imido complexes [M(eta(5)-C5R5){eta(5)-C5H4SiMe2(CH2CH=CH2)}(NtBu)Cl] (M = Nb, Ta; R = H, Me). Metallocene dichlorides [M(eta(5)-C5R5){eta(5)-C5H4SiMe2(CH2CH=CH2)}Cl-2] (M = Nb, Ta; R = H, Me) were easily prepared by reduction with Na/Hg and simultaneous transmetallation of [Ta(eta(5)-C5R5)Cl-4] with Li[C5H4SiMe2(CH2CH=CH2)] and of [Nb{eta(5)-C5H4SiMe2(CH2CH=CH2)}Cl-4] with Li(C5R5). All of the new compounds have been characterized by elemental analysis, and IR and NMR spectroscopy. (c) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.09.017