Na[TiCl4(THF)(κ1-O-bdbpzp)] | 958237-21-3

• 英文名称: Na[TiCl4(THF)(κ1-O-bdbpzp)]
• 英文别名: Na[TiCl4(THF)(κ1-O-1,3-bis(3,5-di-tert-butylpyrazol-1-yl)propan-2-olate)]
• CAS: 958237-21-3
• 化学式: C₂₉H₅₁Cl₄N₄O₂Ti*Na
• 分子量: 700.431
• InChiKey: VCSDLAYGWRMMAL-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  四氢呋喃 、 1,3-bis(3,5-di-tert-butylpyrazol-1-yl)propan-2-ol 、 四氯化钛 、 sodium hydride 以 乙醚 为溶剂， 以71.6%的产率得到Na[TiCl4(THF)(κ1-O-bdbpzp)]
  参考文献：
  名称：

  High-Temperature Single-Site Ethylene Polymerization Behavior of Titanate Complexes Supported by 1,3-Bis(3,5-dialkylpyrazol-1-yl)propan-2-olate Ligation

  摘要：

  Titanate(1-) complexes Na[(THF)(kappa(1)-O-bdbpzp)TiCl4] (1) and Na[(THF)(kappa(1)-O-bdmpzp)TiCl4] (2) and titanate(2-) complexes [Na(THF)](2)[(K-1-O-bdbpzp)(2)TiCl4] (4) and [Na(THF)](2)[(kappa(1)-O-bdMPZP)(2)TiCl4] (5) were obtained in good yield from reaction of Na[bdbpzp] or Na[bdmpzp] (sodium salt of 1,3-bis(3,5-di-te -butylpyrazol-lyl)propan-2-ol or 1,3-bis(3,5-dimethylpyrazol-1yl)propan-2-ol) with TiCl4 (in the appropriate molar ratio) at 0-25 degrees C. Protonolysis of TiCl4 with 1 equiv of bdmpzpH furnished related zwitterionic titanate(1-) complex 3 that possessed a kappa(2)-N,O-coordinated pyrazolyi-alkoxide with pendant pyrazolium group. Methylalurnoxane (MAO) activation of 1-5 under high-temperature solution polymerization conditions produced active single-site ethylene polymerization catalysts that exhibit considerably higher thermal stability (especially 2/MAO, 3/MAO, and 5/MAO) than previously reported for CP2TiCl2/MAO or Ti catalysts supported by related heteroscorpionate or scorpionate ligation.

  DOI：

  10.1021/ic701221f