((4-MeC6H4)NC(Me)C(Me)(CH2Ph)N(C6H4Me-4))Hf(benzyl)3 | 1111827-34-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: ((4-MeC6H4)NC(Me)C(Me)(CH2Ph)N(C6H4Me-4))Hf(benzyl)3
• CAS: 1111827-34-9
• 化学式: C₄₆H₄₈HfN₂
• 分子量: 807.391
• InChiKey: FXNXNEDFNCQDNX-MTLANKQSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  N,N-p-tolyl-2,3-dimethyl-1,4-diazabutadiene 、 tetra(benzyl)hafnium 以 甲苯 为溶剂， 以92%的产率得到((4-MeC6H4)NC(Me)C(Me)(CH2Ph)N(C6H4Me-4))Hf(benzyl)3
  参考文献：
  名称：

  Controlled Benzylation of α-Diimine Ligands Bound to Zirconium and Hafnium: An Alternative Method for Preparing Mono- and Bis(amido)M(CH₂Ph)_n (n = 2, 3) Complexes as Catalyst Precursors for Isospecific Polymerization of α-Olefins

  摘要：

  Reactions of M(CH2Ph)(4)(M = Zr, Hf) with various alpha-diimine ligands afforded amido-imino or diamido complexes through intramolecular benzylation of the C=N bonds of the ligands. Selective benzylation of alpha-diimine ligands, i.e., single- and double-benzylation, was accomplished by varying the substituent on the nitrogen atom of the imine moiety or the ligand backbone. Kinetic analysis of the second benzylation step indicated that the benzyl group migrated from the metal center to the C=N moiety via an ordered four-center transition state (Delta S-double dagger = -3(4) eu for 3a; -5(9) eu for 5b). Upon activation with B(C6F5)(3) or [Ph3C] [B(C6F5)(4)], amido-imino (3, 6) and diamido (2, 4) complexes became active catalysts for 1-hexene polymerization, and the resulting poly(1-hexene)s had moderate isotacticity ([mmmm], up to 90%). Polymerization of vinylcyclohexane was also catalyzed with moderate activity to give highly isotactic poly(vinylcyclohexane) ([mmmm] > 95%) via a chain-end control mechanism.

  DOI：

  10.1021/om800880n