dichloro(κ3-N,N',O-(3,5-di-tert-butyl-2-phenoxo)bis(3,5-dimethyl-pyrazol-1-yl)methane)(tetrahydrofuran)scandium(III) | 1192221-54-7

• 英文名称: dichloro(κ3-N,N',O-(3,5-di-tert-butyl-2-phenoxo)bis(3,5-dimethyl-pyrazol-1-yl)methane)(tetrahydrofuran)scandium(III)
• CAS: 1192221-54-7
• 化学式: C₂₉H₄₃Cl₂N₄O₂Sc
• 分子量: 595.548
• InChiKey: DFVZZQHFTACCNA-UHFFFAOYSA-K

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

• 作为反应物：
  描述：

  碘代三甲硅烷 、 dichloro(κ3-N,N',O-(3,5-di-tert-butyl-2-phenoxo)bis(3,5-dimethyl-pyrazol-1-yl)methane)(tetrahydrofuran)scandium(III) 以 氘代甲苯 为溶剂， 生成 chloroiodo(κ3-N,N',O-(3,5-di-tert-butyl-2-phenoxo)bis(3,5-dimethyl-pyrazol-1-yl)methane)(tetrahydrofuran)scandium(III)
  参考文献：
  名称：

  Scandium and yttrium complexes of a heteroscorpionate [N,N,O]-donor-set ligand: Synthesis, characterization and catalytic activity in ethylene polymerization

  摘要：

  New scandium and yttrium complexes ScL2(bpzmp)(THF) {L = Cl (1); L = CH2Si(CH3)(3) (3)}, YL2(bpzmp) {L = Cl ( 2); L = OTf (5)} and Y(CH2SiMe3)(2)(bpzmp)(THF) (4) bearing the heteroscorpionate bpzmp ligand {bpzmp = (3,5-Bu-t(2)-2-phenoxo) bis(3,5-Me-2-pyrazol-1-yl) methane} have been synthesized and characterized by means of NMR and Mass spectroscopy. The tridentate monoanionic ligand resulted kappa(3)-coordinated to the metal via the oxygen and both the sp(2) nitrogen atoms of the heterocycles, producing complexes in CS symmetry.The behavior of 1-4 in ethylene polymerization was investigated after proper activation with different activating agents. Complex 4, in combination with the Bronsted or Lewis acids [PhNMe2H][B(C6F5)(4)] or [Ph3C][B(C6F5)(4)], produced linear high molecular weight polyethylene in good yield. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.01.020
• 作为产物：
  描述：

  四氢呋喃 、 (3,5-di-tert-butyl-2-hydroxyphenyl)bis(3,5-dimethyl-pyrazolyl)methane 、 氯化钪 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 以75%的产率得到dichloro(κ3-N,N',O-(3,5-di-tert-butyl-2-phenoxo)bis(3,5-dimethyl-pyrazol-1-yl)methane)(tetrahydrofuran)scandium(III)
  参考文献：
  名称：

  Scandium and yttrium complexes of a heteroscorpionate [N,N,O]-donor-set ligand: Synthesis, characterization and catalytic activity in ethylene polymerization

  摘要：

  New scandium and yttrium complexes ScL2(bpzmp)(THF) {L = Cl (1); L = CH2Si(CH3)(3) (3)}, YL2(bpzmp) {L = Cl ( 2); L = OTf (5)} and Y(CH2SiMe3)(2)(bpzmp)(THF) (4) bearing the heteroscorpionate bpzmp ligand {bpzmp = (3,5-Bu-t(2)-2-phenoxo) bis(3,5-Me-2-pyrazol-1-yl) methane} have been synthesized and characterized by means of NMR and Mass spectroscopy. The tridentate monoanionic ligand resulted kappa(3)-coordinated to the metal via the oxygen and both the sp(2) nitrogen atoms of the heterocycles, producing complexes in CS symmetry.The behavior of 1-4 in ethylene polymerization was investigated after proper activation with different activating agents. Complex 4, in combination with the Bronsted or Lewis acids [PhNMe2H][B(C6F5)(4)] or [Ph3C][B(C6F5)(4)], produced linear high molecular weight polyethylene in good yield. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.01.020