[(rac-N,N'-di(6-methylpyridin-2-yl)-2,2'-diaminobinaphthalene(-2H))Zr(CH2CHMe2)][HB(C6F5)3] | 858941-54-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [(rac-N,N'-di(6-methylpyridin-2-yl)-2,2'-diaminobinaphthalene(-2H))Zr(CH2CHMe2)][HB(C6F5)3]
• CAS: 858941-54-5
• 化学式: C₄H₉*C₁₈HBF₁₅*C₃₄H₂₈N₄*Zr
• 分子量: 1153.96
• InChiKey: FBZWEQBJEDLZEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.97
• 重原子数：
  77.0
• 可旋转键数：
  10.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  53.98
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  rac-N,N'-di(6-methylpyridin-2-yl)-2,2'-diaminobinaphthalene 以 乙醚 、 二氯甲烷 、 氘代苯 、 甲苯 为溶剂， 生成 [(rac-N,N'-di(6-methylpyridin-2-yl)-2,2'-diaminobinaphthalene(-2H))Zr(CH2CHMe2)][HB(C6F5)3]
  参考文献：
  名称：

  Synthesis, Characterization, and Activation of Zirconium and Hafnium Dialkyl Complexes that Contain a C₂-Symmetric Diaminobinaphthyl Dipyridine Ligand

  摘要：

  The diamine rac-H-2[MepyN] (rac-N,N'-di(6-methylpyridin-2-yl)-2,2'-diaminobinaphthalene) has been prepared in good yield through reductive amination of rac-2,2'-diaminobinaphthalene with 6-methylpyridinecarboxaldehyde. The [MepyN](2-) ligand has been employed to prepare a variety of zirconium and hafnium complexes, [MepyN]MX2 (M = Zr, X = NMe2, Cl, OSO2CF3, CH2CHMe2, CH2Ph; M = Hf, X = NMe2, OSO2CF3, CH2CHMe2). The solid state structures of [MepyN]Zr(CH2Ph)(2), [MepyN]Zr(NMe2)Cl, [MepyN]Hf(CH2CHMe2)(2), and [MepyN]Hf(OSO2CF3)(2) have been determined by X-ray diffraction. Activation of [MepyN]Zr(CH2Ph)(2) and [MepyN]Hf(CH2CHMe2)(2) with various Lewis acids leads to observable cationic alkyls that are not active toward 1-hexene polymerization.

  DOI：

  10.1021/om058007i