Zr(CH2SiMe3)2(N,N'-o-phenylene-bis(3,5-di-tert-butyl-salicylidene-imine(-2H)) | 910796-54-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Zr(CH2SiMe3)2(N,N'-o-phenylene-bis(3,5-di-tert-butyl-salicylidene-imine(-2H))
• CAS: 910796-54-2
• 化学式: C₄₄H₆₈N₂O₂Si₂Zr
• 分子量: 804.431
• InChiKey: LMSFXTCGTMVNKY-BUAHPEKYSA-L

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：

  dichloro(N,N'-o-phenylenebis(3,5-di-tert-butylsalicylideneiminato))zirconium(IV) 、 (三甲基硅基)甲基氯化镁 以 正己烷 为溶剂， 生成 Zr(CH2SiMe3)2(N,N'-o-phenylene-bis(3,5-di-tert-butyl-salicylidene-imine(-2H))
  参考文献：
  名称：

  A zirconium dichloro complex supported by an ancillary stereorigid tetradentate bis(phenoxo-imino) Schiff-base-donor ligand: Evidence for a conformational equilibrium between two solution stereoisomers

  摘要：

  Reaction of the dilithium salt of the Schiff-base N,N'-o-phenylene-bis(3,5-di-tert-butyl-salicylidene-imine) ((t)Bu(4)salophenH(2)) with 1 equiv. of ZrCl4(THF)(2) in toluene at -78 degrees C affords the dichloro complex ZrCl2[C6H4-1,2-{N=CH-(3,5-(Bu2C6H2)-Bu-t-2-O)}(2)], isolated as a mixture of the C-2v-(3a) and C-2-(3b) symmetry isomers. Thermodynamic and kinetic parameters for the equilibrium between 3a and 3b have been determined and studied by H-1 NMR spectroscopy. Reactions of ZrCl2[C6H4-1,2-{N=CH-(3,5-(Bu2C6H2)-Bu-t-2-O)}(2)] with alkylating reagents gave an intractable, unidentified mixture of products from which the NMR spectra in C6D6 solution are unusable. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.05.025