| 1234782-97-8

• CAS: 1234782-97-8
• 化学式: C₄H₁₀O₂*C₉H₁₃Cl₃Zr
• 分子量: 408.907
• InChiKey: ZBRHLHBUVCFMKM-UHFFFAOYSA-K

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：

  N-(3-tert-butyl-2-hydroxy)benzylidenecyclohexylamine 、 在 n-BuLi 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以66.7%的产率得到[Me4C5H][2-t-Bu-6-(C6H11NCH)C6H3O]ZrCl2
  参考文献：
  名称：

  Ethylene homopolymerization and ethylene/1-hexene copolymerization catalysed by mixed salicylaldiminato cyclopentadienyl zirconium complexes

  摘要：

  Three new mixed salicylaldiminato cyclopentadienyl zirconium complexes Cp'[2-Bu(t)-6-(C(6)H(11)NCH) C(6)H(3)O]ZrCl(2) (Cp' = (n)BuC(5)H(4) (3a), (t)BuC(5)H(4) (3b) and Me(4)C(5)H (3c)) were prepared and the structure of complex 3c was confirmed by X-ray diffraction analysis. All of the three complexes showed high activities for ethylene homopolymerization with the activation of methylaluminoxane, and 3a showed the highest activity up to 1.15 x 10(6) g PE/mol Zr h for ethylene homopolymerization at 70 degrees C. The (13)C NMR spectrum showed that the obtained polymer is linear polyethylene. Complexes 3a-c also catalysed ethylene/1-hexene copolymerization with high activities from 6.29 x 10(5) to 12.3 x 10(5) g Copolymer/mol Zr h and with 0.89-1.39% 1-hexene incorporation level. In addition, the influence of the substituted alkyl on Cp on the catalytic behavior of corresponding zirconium complexes was discussed. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.06.010
• 作为产物：
  描述：

  乙二醇二甲醚 、 二甲基硫 、 氯化锆(IV) 、 三甲基(2,3,4,5-四甲基-2,4-环戊二烯-1-基)硅烷 以 乙二醇二甲醚 、 二氯甲烷 为溶剂， 以61.1%的产率得到
  参考文献：
  名称：

  Ethylene homopolymerization and ethylene/1-hexene copolymerization catalysed by mixed salicylaldiminato cyclopentadienyl zirconium complexes

  摘要：

  Three new mixed salicylaldiminato cyclopentadienyl zirconium complexes Cp'[2-Bu(t)-6-(C(6)H(11)NCH) C(6)H(3)O]ZrCl(2) (Cp' = (n)BuC(5)H(4) (3a), (t)BuC(5)H(4) (3b) and Me(4)C(5)H (3c)) were prepared and the structure of complex 3c was confirmed by X-ray diffraction analysis. All of the three complexes showed high activities for ethylene homopolymerization with the activation of methylaluminoxane, and 3a showed the highest activity up to 1.15 x 10(6) g PE/mol Zr h for ethylene homopolymerization at 70 degrees C. The (13)C NMR spectrum showed that the obtained polymer is linear polyethylene. Complexes 3a-c also catalysed ethylene/1-hexene copolymerization with high activities from 6.29 x 10(5) to 12.3 x 10(5) g Copolymer/mol Zr h and with 0.89-1.39% 1-hexene incorporation level. In addition, the influence of the substituted alkyl on Cp on the catalytic behavior of corresponding zirconium complexes was discussed. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.06.010