| 770748-55-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 770748-55-5
• 化学式: CH₃*C₂₄BF₂₀*C₂₇H₃₃N₃*Hf
• 分子量: 1278.1
• InChiKey: BGOUKCJGRJWWES-HEXIETKUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.55
• 重原子数：
  77.0
• 可旋转键数：
  11.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  31.44
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  、 三苯碳四(五氟苯基)硼酸盐 以 further solvent(s) 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, Characterization, and Polymerization Behavior of Zirconium and Hafnium Complexes that Contain Asymmetric Diamido-N-Donor Ligands

  摘要：

  Two new "NNN" (diamido-N-donor) ligands have been synthesized that contain ethylene/o-phenylene "arms" and a phenyl-substituted amine donor in the central position, [Mesityl-NH-o-C6H4N(Ph)CH(2)CH(2)NHMesityl] (H(2)1) and [t-Bu-d6-NH-o-C6H4N(Ph)CH(2)CH(2)NHMesityl] (H(2)2). The Zr and Hf complexes that have been isolated include [1]MX2 (M = Zr or Hf, X = NMe2, Cl, or Me) and [2]MX2 (M = Zr or Hf, X = NMe2, Cl, Me). The structures of [1]ZrMe2, [2]ZrMe2, and a dimeric species with the formula [MesitylN-o-C(6)H(4)NCH(2)CH(2)NMesityl]Zr-2(NMe2)(5) have been determined in X-ray crystallographic studies. Abstraction of a methyl kgroup in [1]MMe2 (M = Zr or HO with [Ph3C][B(C6F5)(4)] gives rise to cationic complexes that are active initiators for the polymerization of 1-hexene. Similar activation of [2]MMe2 (M = Zr or Hf) gives rise to dimeric monocations that eventually break up and react further to yield cationic monomethyl species. In all cases the poly[1-hexene] produced in the presence of the monometallic cations was found to be atactic.

  DOI：

  10.1021/om040043e