[(η5-C5Me5)ZrMe2[N(CH2C6H4CH3-3)C(Me)N(t-Bu)] | 556065-20-4

• 英文名称: [(η5-C5Me5)ZrMe2[N(CH2C6H4CH3-3)C(Me)N(t-Bu)]
• CAS: 556065-20-4
• 化学式: C₂₆H₄₂N₂Zr
• 分子量: 473.857
• InChiKey: XFONFFIVSIMIIN-UHFFFAOYSA-N

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：

  pentamethylcyclopentadienylzirconium(IV) trichloride 、 2-methyl-N-(((3-methylbenzyl)imino)methylene)propan-2-amine 、 甲基锂 以 乙醚 为溶剂， 以46%的产率得到[(η5-C5Me5)ZrMe2[N(CH2C6H4CH3-3)C(Me)N(t-Bu)]
  参考文献：
  名称：

  Structure/activity relationships for the living Ziegler–Natta polymerization of 1-hexene by the series of cationic monocyclopentadienyl zirconium acetamidinate complexes, [(η5-C5Me5)ZrMe{N(CH2R)C(Me)N(t-Bu)}][B(C6F5)4] (R=Me, i-Pr, t-Bu, Ph, 2-ClC6H4, 3-MeC6H4 and 2,4,6-Me3C6H2)

  摘要：

  Protonation of (eta(5)-C5Me5)ZrMe2[N(t-Bu)C(Me)N(CH2R)] (1) [R = (a) Me, (b) i-Pr, (c) t-Bu, (d) Ph, (e) 2-ClC6H4, (f) 3-MeC6H4 and (g) 2,4,6-Me3C6H2] by [PhNMe2H][B(C6F5)(4)] in chlorobenzene at -10 degreesC provides the titled cationic complexes 2a-g. Both 2b and 2d are active initiators for the living polymerization of 1-hexene at -10 degreesC, however, whereas 2d functions much like 2a in terms of activity and isoselectivity, propagation from 2b is much less active and it produces atactic material. Complexes 2d and 2g are inactive, presumably due to steric reasons, while intramolecular chloride coordination appears responsible for inhibiting 2e. Finally, 2f, while active as an initiator, was found not to provide a living system as a result of C-H activation processes that terminate propagation. A structural study of the precatalysts 1b-d sheds additional light on the nature of ligand effects on activity and stereocontrol for the family of initiators represented by 2. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01288-4