zirconium(cyclohexylmethylamide)2[η2-C(N-2,6-dimethylphenyl)N(Me)cyclohexyl]2 | 610786-39-5

• 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: zirconium(cyclohexylmethylamide)2[η2-C(N-2,6-dimethylphenyl)N(Me)cyclohexyl]2
• 英文别名: cyclohexyl(methyl)azanide;N-[(2,6-dimethylphenyl)iminomethyl]-N-methylcyclohexanamine;zirconium(4+)
• CAS: 610786-39-5
• 化学式: C₄₆H₇₄N₆Zr
• 分子量: 802.358
• InChiKey: WXPPSPIHVAWIFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.85
• 重原子数：
  53
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  33.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  zirconium(cyclohexylmethylamide)2[η2-C(N-2,6-dimethylphenyl)N(Me)cyclohexyl]2 、 三甲胺盐酸盐 以 乙醚 为溶剂， 以83%的产率得到dichlorozirconium[η2-C(N-2,6-dimethylphenyl)N(Me)cyclohexyl]2
  参考文献：
  名称：

  New η²-Formamidinyl Zirconium Complexes:  Synthesis, Characterization, and Catalytic Activity

  摘要：

  The new eta(2)-formamidinyl Zr complex Zr(NMeCyc)(2)[C(NAr)NMeCyc](2) (1) (Ar = 2,6-dimethylphenyl, Cyc = cyclohexyl) was prepared upon double insertion of 2,6-dimethyl phenyl isocyanide in the Zr-N bond of Zr(NMeCyc)(4). 1 was then converted into Zr(OC6F5)(2)[C(NAr)N-MeCyc](2) (2) and ZrCl2[C(NAr)NMeCyc](2) (3) by reacting it with C6F5OH and [NHMe3]Cl, respectively. The crystal structure of 1 was established by X-ray analysis. All the complexes have been tested as catalysts for the polymerization of ethylene and 1-hexene in the presence of [NHMe2Ph][B(C6F5)(4)] as cocatalyst.

  DOI：

  10.1021/om030268+
• 作为产物：
  描述：

  N-甲基环己胺 在 Li-n-Bu 作用下， 以 正己烷 、 甲苯 为溶剂， 生成 zirconium(cyclohexylmethylamide)2[η2-C(N-2,6-dimethylphenyl)N(Me)cyclohexyl]2
  参考文献：
  名称：

  New η²-Formamidinyl Zirconium Complexes:  Synthesis, Characterization, and Catalytic Activity

  摘要：

  The new eta(2)-formamidinyl Zr complex Zr(NMeCyc)(2)[C(NAr)NMeCyc](2) (1) (Ar = 2,6-dimethylphenyl, Cyc = cyclohexyl) was prepared upon double insertion of 2,6-dimethyl phenyl isocyanide in the Zr-N bond of Zr(NMeCyc)(4). 1 was then converted into Zr(OC6F5)(2)[C(NAr)N-MeCyc](2) (2) and ZrCl2[C(NAr)NMeCyc](2) (3) by reacting it with C6F5OH and [NHMe3]Cl, respectively. The crystal structure of 1 was established by X-ray analysis. All the complexes have been tested as catalysts for the polymerization of ethylene and 1-hexene in the presence of [NHMe2Ph][B(C6F5)(4)] as cocatalyst.

  DOI：

  10.1021/om030268+

文献信息

• New η²-Formamidinyl Zirconium Complexes:  Synthesis, Characterization, and Catalytic Activity
  作者：Franco Benetollo、Giovanni Carta、Gianni Cavinato、Laura Crociani、Gino Paolucci、Gilberto Rossetto、Francesco Veronese、Pierino Zanella

  DOI：10.1021/om030268+

  日期：2003.9.1

  The new eta(2)-formamidinyl Zr complex Zr(NMeCyc)(2)[C(NAr)NMeCyc](2) (1) (Ar = 2,6-dimethylphenyl, Cyc = cyclohexyl) was prepared upon double insertion of 2,6-dimethyl phenyl isocyanide in the Zr-N bond of Zr(NMeCyc)(4). 1 was then converted into Zr(OC6F5)(2)[C(NAr)N-MeCyc](2) (2) and ZrCl2[C(NAr)NMeCyc](2) (3) by reacting it with C6F5OH and [NHMe3]Cl, respectively. The crystal structure of 1 was established by X-ray analysis. All the complexes have been tested as catalysts for the polymerization of ethylene and 1-hexene in the presence of [NHMe2Ph][B(C6F5)(4)] as cocatalyst.