| 1400916-51-9

• CAS: 1400916-51-9
• 化学式: C₄₂H₄₈Cl₂N₂O₄Zr
• 分子量: 806.984
• InChiKey: QQLMXUCQUJKWQU-UHFFFAOYSA-J

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：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  2-(2′-hydroxy-3′,5′-di-tert-butylphenyl)benzoxazole 、 氯化锆(IV) 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 以57.4%的产率得到
  参考文献：
  名称：

  Titanium and Zirconium Catalysts with [N,O] Ligands: Syntheses, Characterization, and Their Catalytic Properties for Olefin Polymerization

  摘要：

  A series of titanium and zirconium complexes L2MCl2 bearing salicylbenzoxazole ligands 2-(5-R-benzoxazol-2-yl)-6-R-1-4-R-2-phenol (L) (2a, M = Ti, R-1 = R-2 K = Bu-t, R = H; 2j, M = Ti, R-1 = cumyl, R-2 = Bu-t, R = H; 2k, M = Ti, R-1 = Ad, R-2 = Bu-t, R = H; 3a, M = Zr, R-1 = R-2 = R = H; 3b, M = Zr, R-1 = R-2 = Bu-t, R = CH3; 3c, M = Zr, = R-2 = Bu-t, R = Bu-t; 3d, M = Zr, = R-2 = Bu-t, R = Cl; 3e, M = Zr, = R-2 = Bu-t, R = NO2; 3f, M = Zr, R-1 = H, R-2 = H, R = H; 3g, M = Zr, R-1 = CH3, R-2 = H, R = H; 3h, M = Zr, R-1 = Bu-t, R-2 = H, R = H; 3i, M = Zr, R-1 = Bu-t, R-2 = CH3, R = H; 3j, M = Zr, R-1 = cumyl, R-2 = Bu-t, R = H; 3k, M = Zr, = Ad, R-2 = Bu-t, R = H) were synthesized. All the ligands and the metal complexes were fully characterized by H-1 and C-13 NMR spectra and elemental analyses. The molecular structures of 3b,d,i,j were determined by single-crystal X-ray diffraction methods. Upon activation with methylaluminoxane (MAO), the zirconium complexes 3a e,h k bearing a bulky substitute on the ortho position of the phenol ring show high activities for ethylene polymerization and produced high-molecular-weight polyethylenes. For the titanium complexes, only trace polymers were obtained on activatation with MAO. The oligomerization of 1-hexene was also conducted by the zirconium complexes 3a k, but only low molecular weights and stereoirregular oligomers were obtained.

  DOI：

  10.1021/om3007568