[(η5-cyclopentadienyl)ZrCl2(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4,6-di-tert-pentylphenol(-1H))]2 | 1283647-02-8

• 英文名称: [(η5-cyclopentadienyl)ZrCl2(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4,6-di-tert-pentylphenol(-1H))]2
• 英文别名: [CpZrCl2(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4,6-di-tert-pentylphenol(-1H))]2
• CAS: 1283647-02-8
• 化学式: C₅₄H₆₆Cl₄N₆O₂Zr₂
• 分子量: 1155.42
• InChiKey: AZOPEQFHVFGGGW-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  四氢呋喃 、 [(η5-cyclopentadienyl)ZrCl2(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4,6-di-tert-pentylphenol(-1H))]2 以 四氢呋喃 为溶剂， 生成 [(η5-cyclopentadineyl)ZrCl2(tetrahydrofuran)(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4,6-di-tert-pentylphenol(-1H))]
  参考文献：
  名称：

  Novel zirconium complexes containing a bidentate phenoxybenzotriazole ligand

  摘要：

  Treatment of CpZrCl3 with 1 equiv of 2-(2H-benzoic[d][1,2,3]triazol-2-yl)-4,6-di-tert-pentylphenol (LigH) in THF or toluene affords the monomeric complex C31H41Cl2N3O2Zr (1) or the dimeric complex C54H66Cl4N6O2Zr2 (2), respectively. THF can transform the dimeric 2 into monomeric 1 within a few minutes at room temperature. The reaction between LigH and 2 equiv of CpZrCl3 gave the novel dinuclear complex C32H38Cl5N3OZr2 (3), linked by three bridging chlorides. The monomeric complex C44H56Cl2N6O2Zr (4), containing two Lig and two Cl ligands, could be obtained by the reaction between 2 equiv of LigH and Zr(NMe2)(4) in toluene and subsequent addition of Me3SiCl. The molecular structures of the complexes were determined by the single crystal X-ray crystallographic method. In the presence of methylalumoxane (MAO) as a cocatalyst, the four complexes synthesized were highly active for the polymerization of ethylene. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.12.035
• 作为产物：
  描述：

  cyclopentadienylzirconium trichloride 、 紫外线吸收剂 THUV-328 以 甲苯 为溶剂， 以84%的产率得到[(η5-cyclopentadienyl)ZrCl2(2-(2H-benzo[d][1,2,3]triazol-2-yl)-4,6-di-tert-pentylphenol(-1H))]2
  参考文献：
  名称：

  Novel zirconium complexes containing a bidentate phenoxybenzotriazole ligand

  摘要：

  Treatment of CpZrCl3 with 1 equiv of 2-(2H-benzoic[d][1,2,3]triazol-2-yl)-4,6-di-tert-pentylphenol (LigH) in THF or toluene affords the monomeric complex C31H41Cl2N3O2Zr (1) or the dimeric complex C54H66Cl4N6O2Zr2 (2), respectively. THF can transform the dimeric 2 into monomeric 1 within a few minutes at room temperature. The reaction between LigH and 2 equiv of CpZrCl3 gave the novel dinuclear complex C32H38Cl5N3OZr2 (3), linked by three bridging chlorides. The monomeric complex C44H56Cl2N6O2Zr (4), containing two Lig and two Cl ligands, could be obtained by the reaction between 2 equiv of LigH and Zr(NMe2)(4) in toluene and subsequent addition of Me3SiCl. The molecular structures of the complexes were determined by the single crystal X-ray crystallographic method. In the presence of methylalumoxane (MAO) as a cocatalyst, the four complexes synthesized were highly active for the polymerization of ethylene. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.12.035