4-[(2,6-di-isopropylphenylimino)(phenyl)methyl]-1,3-diphenyl-pyrazolone-5 | 1203671-74-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[(2,6-di-isopropylphenylimino)(phenyl)methyl]-1,3-diphenyl-pyrazolone-5
• CAS: 1203671-74-2
• 化学式: C₃₄H₃₃N₃O
• 分子量: 499.656
• InChiKey: PSGAWUGNRBAHLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.66
• 重原子数：
  38.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  50.41
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-[(2,6-di-isopropylphenylimino)(phenyl)methyl]-1,3-diphenyl-pyrazolone-5 、 四氯化钛 在 Et₃N 作用下， 以 甲苯 为溶剂， 以26%的产率得到(4-[(2,6-di-isopropylphenylimino)(phenyl)methyl]-1,3-diphenyl-pyrazolone-5)2TiCl2
  参考文献：
  名称：

  Titanium complexes with modifiable pyrazolonato and pyrazolonato-ketimine ligands: Synthesis, characterization and ethylene polymerization behavior

  摘要：

  Six titanium complexes bearing pyrazolonato and pyrazolonato-ketimine ligands have been synthesized and characterized. It was found that the ligand structure of the synthesized complexes has a significant effect on the catalytic performance of the complexes. The synthesized complexes were activated with MAO and their activities varied from negligible to high ( up to 612 kg(PE)/(mol(Ti) h bar). The pyrazolonato-ketimine complex with a phenyl substituent in the imine part was the most active in the series and it was the only one producing polyethylenes with relatively narrow molecular weight distribution (M-w/M-n from 1.6 to 2.2). (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.09.019
• 作为产物：
  描述：

  2,6-二异丙基苯胺 、 4-benzoyl-5-hydroxy-1,3-diphenyl-1H-pyrazole 在 甲酸 、 sodium sulfate 作用下， 以 甲醇 为溶剂， 200.0 ℃ 、2.0 MPa 条件下， 反应 16.0h， 以38%的产率得到4-[(2,6-di-isopropylphenylimino)(phenyl)methyl]-1,3-diphenyl-pyrazolone-5
  参考文献：
  名称：

  Titanium complexes with modifiable pyrazolonato and pyrazolonato-ketimine ligands: Synthesis, characterization and ethylene polymerization behavior

  摘要：

  Six titanium complexes bearing pyrazolonato and pyrazolonato-ketimine ligands have been synthesized and characterized. It was found that the ligand structure of the synthesized complexes has a significant effect on the catalytic performance of the complexes. The synthesized complexes were activated with MAO and their activities varied from negligible to high ( up to 612 kg(PE)/(mol(Ti) h bar). The pyrazolonato-ketimine complex with a phenyl substituent in the imine part was the most active in the series and it was the only one producing polyethylenes with relatively narrow molecular weight distribution (M-w/M-n from 1.6 to 2.2). (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.09.019