dichloro(2-tert-butyl-6-[(cyclohexylimino)methyl]phenolato)(η5-cyclopentadienyl)zirconium | 514791-70-9

• 英文名称: dichloro(2-tert-butyl-6-[(cyclohexylimino)methyl]phenolato)(η5-cyclopentadienyl)zirconium
• CAS: 514791-70-9
• 化学式: C₂₂H₂₉Cl₂NOZr
• 分子量: 485.608
• InChiKey: QQAOUXXMJKDLIW-SFCSVCHPSA-K

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：

  (η5-cyclopentadienyl)trichlorozirconium dimethoxyethane 、 N-(3-tert-butyl-2-hydroxy)benzylidenecyclohexylamine 在 n-butyl lithium 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以25%的产率得到dichloro(2-tert-butyl-6-[(cyclohexylimino)methyl]phenolato)(η5-cyclopentadienyl)zirconium
  参考文献：
  名称：

  Monocyclopentadienyl phenoxy-imine and phenoxy-amine complexes of titanium and zirconium and their application as catalysts for 1-alkene polymerisation

  摘要：

  Deprotonation of the phenol-imines 2-Bu'-6-(RNCH)C6H3OH (R = 2,4,6-Me3C6H2 (1a), C6F5 (1b), C6H11 (1c) and phenolamines 2,4-Bu'(2)-6-(R'NCH2)C6H2OH (R' = C4H8 (1d), C5H10 (1e)) with n -BuLi gives the corresponding lithium phenoxides. The reaction with MCl4 in THF solution leads to the bis(ligand) complexes {2-Bu'-6-(RNCH)C6H3H3O}(2)MCl2 and {2,4-Bu'(2)-6-(R'NCH2)C6H2O}(2)MCl2 (M=Ti: 2a, 2d, 2e, Zr: 3a, 3d and 3e). The cyclopentadienyl phenoxy-imine and -amine complexes Cp{2-Bu'-6-(RNCH)C6H3O}MCl2 and Cp{2,4-Bu'(2)-6-(R'NCH2)C6H2O}MCl2 (M = Ti: 4a-4e, Zr: 5a-5e) were prepared similarly through reaction with CPMCl3. The crystal and molecular structures of 2a, 3a, 4a and 4c have been determined. 2a and 3a are isostructural and exhibit a distorted octahedral geometry. 4a has a distorted square-pyramidal structure whereas 4e is essentially tetrahedral and the nitrogen does not coordinate. All new complexes are active for the polymerisation of ethene when activated with methyaluminoxane. 4b, 5a, 5d and 5e are active for the copolymerisation of ethene and 1-hexene and the oligomerisation of 1-hexene. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(02)02106-x