[Zr(η5-C5Me4SiMeH-η1-NBu-t)(Cl)C6F5] | 570401-38-6

• 英文名称: [Zr(η5-C5Me4SiMeH-η1-NBu-t)(Cl)C6F5]
• CAS: 570401-38-6
• 化学式: C₂₀H₂₅ClF₅NSiZr
• 分子量: 529.18
• InChiKey: OEENXHVUWIITSG-UFRNLTNDSA-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：

  [Zr(η5-C5Me4SiMeH-η1-NBu-t)Cl2] 、 2-Chloronaphthalene-1-sulfonic acid 以 乙醚 为溶剂， 以71%的产率得到[Zr(η5-C5Me4SiMeH-η1-NBu-t)(Cl)C6F5]
  参考文献：
  名称：

  Synthesis and characterization of η5-tetramethylcyclopentadienyl-hydrido- and -chloro-silyl-η1-amido zirconium complexes

  摘要：

  The silylated tetramethylcyclopentadienes C5Me4(SiMeCl2)(SiMe3) (1) and C5Me4H(SiMeHCl) (3) were isolated by reaction of their corresponding trimethylsilyltetramethylcyclopentadienyI and tetramethylcyclopentadienyl lithium salts with SiMeCl3 and SiMeHCl2, respectively. Reaction of a toluene suspension of ZrCl4 with one equivalent of I afforded the monocyclopentadienyl zirconium complex [Zr(eta(5)-C5Me4SiMeCl2)Cl-3] (2). Reaction of 3 with (NH2Bu)-Bu-t gave C5Me4H[SiMeH((NHBu)-Bu-t)] (4) which was further metallated to give Li-2[C5Me4SiMeH((NBu)-Bu-t)] (5), used to prepare the silyl-eta(1)-amido zirconium derivative [Zr(eta(5)-C5Me4SiMeH-eta(1)-(NBu)-Bu-t)Cl-2] (6) by reaction with ZrCl4(THF)(2). Chlorination of 6 with BCl3 afforded [Zr(eta(5)-C5Me4SiMeCl-eta(1)-(NBu)-Bu-t)Cl-2] (12). Alkylation and amidation of 6 and 12 provided the corresponding disubstituted [Zr(eta(5)-C5Me4SiMeH-eta(1)-(NBu)-Bu-t)R-2] (R = Me 7, CH2Ph 8, NMe2 9) and [Zr(eta(5)-C5Me4SiMeCl-eta(1)-(NBu)-Bu-t)Me-2] (13) and monosubstituted [Zr(eta(5)-C5Me4SiMeH-eta(1)-(NBu)-Bu-t)C1R] (R = C6F5 10, N(SiMC3)(2) 11) and [Zr(eta(5)-C5Me4SiMeCl-eta(1)-(NBu)-Bu-t)Cl{N(SiMe3)(2)}] (14). All of the new compounds reported were characterized by elemental analyses and NMR spectroscopy. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(03)00122-0