[C4H2N(2,5-CH2NMe2)2Zr(O-t-Bu)3] | 1338682-04-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: [C4H2N(2,5-CH2NMe2)2Zr(O-t-Bu)3]
• CAS: 1338682-04-4
• 化学式: C₂₂H₄₅N₃O₃Zr
• 分子量: 490.842
• InChiKey: FNUNAFCUEBAHHV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：

  [C4H2N(2,5-CH2NMe2)2Zr(NEt2)3] 、 叔丁醇 以 正戊烷 为溶剂， 以85%的产率得到[C4H2N(2,5-CH2NMe2)2Zr(O-t-Bu)3]
  参考文献：
  名称：

  Zirconium and hafnium amide, alkoxide, and pyrrolyl complexes manifesting with pyrrolyl-linked N-donor ligands: Syntheses, characterization, and ring opening polymerization of ε-caprolactone

  摘要：

  A series of zirconium and hafnium alkoxide and amide complexes containing symmetrical tridentate pyrrolyl ligand, [C4H2NH(2,5-CH2NMe2)(2)] have been synthesized conveniently by treatment of 2,6-di-tert-butylphenol, tert-butanol or pyrrole in pentane and their reactivity over ring opening polymerization of epsilon-caprolactone have been carried out. Reactions of [C4H2NH(2,5-CH2NMe2)(2)] with M(NEt2)(4) (M = Zr or Hf) originate [C4H2N(2,5-CH2NMe2)(2)]M(NEt2)(3) (1, M = Zr; 2, M = Hf). Furthermore, reactions of [C4H2N(2,5-CH2NMe2)(2)]M(NEt2)(3) with 2,6-di-tert-butylphenol, tert-butanol or pyrrole afford [C4H2N(2,5-CH2NMe2)(2)]M(OC6H3-2,6-Bu-t(2))(NEt2)(2) (3, M = Zr; 4, M = Hf), [C4H2N(2,5-CH2NMe2)(2)]M((OBu)-Bu-t)(3) (5, M = Zr; 6, M = Hf) and [C4H2N(2,5-CH2NMe2)(2)]M(C4H4N)(3) (7, M = Zr; 8, M = Hf), respectively, in satisfactory yield. All the complexes have been characterized by NMR spectra as well 3, 4 and 6 subjected to the X-ray diffraction analysis. Complexes 3-8 have been used as initiators for the ring-opening polymerization of epsilon-caprolactone and observed broad PDI values (1.84-2.75) representing multiple reactivity centers of these complexes. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.09.001