[Zr(O-i-Pr)3(2,2-bis(3,5-dimethylpyrazol-1-yl)-1-tert-butylethylcyclopentadienyl)] | 1162656-84-9

• 英文名称: [Zr(O-i-Pr)3(2,2-bis(3,5-dimethylpyrazol-1-yl)-1-tert-butylethylcyclopentadienyl)]
• CAS: 1162656-84-9
• 化学式: C₃₀H₅₀N₄O₃Zr
• 分子量: 605.976
• InChiKey: RXFBXEZPGNMURL-MXFMKSRJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  [ZrCl3(2,2-bis(3,5-dimethylpyrazol-1-yl)-1-tert-butylethylcyclopentadienyl)] 、 异丙醇 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以72%的产率得到[Zr(O-i-Pr)3(2,2-bis(3,5-dimethylpyrazol-1-yl)-1-tert-butylethylcyclopentadienyl)]
  参考文献：
  名称：

  Hybrid scorpionate/cyclopentadienyl titanium and zirconium complexes with alkoxide and imido ligands

  摘要：

  The reactivity of hybrid scorpionate/cyclopentadienyl ligand-containing trichloride zirconium complexes [ZrCl3(bpzcp)] (1) [bpzcp = 2,2-bis(3,5-dimethylpyrazol-1-yl)-1,1-diphenylethylcyclopentadienyl] and [ZrCl3(bpztcp)] (2) [bpztcp = 2,2-bis(3,5-dimethylpyrazol-1-yl)-1-tert-butylethylcyclopentadienyl] toward several lithium alkoxides has been carried out. Thus, alkoxide-containing complexes [ZrCl2(OR)(bpzcp)] (R = Me, 3; Et, 4; Pr-i, 5; (R)-2-Bu, 6), [ZrCl2(OR)(bpztcp)] (R = Me, 7; Et, 8; Pr-i, 9; (R)-2-Bu, 10) and [Zr(OR)(3) (bpztcp)] (R = Et, 11; Pr-i, 12) were prepared by deprotonation of the appropriate alcohol group with (BuLi)-Li-n followed by reaction with 1 or 2. In addition, the imido-complex [Ti((NBu)-Bu-t)Cl(bpztcp)(py)] (13) were also prepared. The structures of these complexes have been proposed on basis of spectroscopic and DFT methods. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.01.015