4-[[4-[[4-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]iminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one | 1296869-06-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[[4-[[4-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]iminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one
• 英文别名: 4-[[4-[[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]iminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one
• CAS: 1296869-06-1
• 化学式: C₄₅H₅₀N₆O₂
• 分子量: 706.931
• InChiKey: AFYOAJQQTXGUCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  53
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  71.8
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  dichloro(cycloocta-1,5-diene)palladium (II) 、 4-[[4-[[4-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]iminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one 以 甲醇 为溶剂， 以79.7%的产率得到
  参考文献：
  名称：

  Synthesis of and ethylene oligomerization with binuclear palladium catalysts having sterically modulated bis-imine ligands with methylene spacer

  摘要：

  Sterically modulated bis-imine ligands (L-1-L-3) were prepared by reacting 4,4'-methylene bis-(2,6-dialkyl aniline) and antipyrine-4-carboxaldehyde in a 1: 2 stoichiometric ratio. The reactions of L-1-L-3 with dichloro(cycloocta-1.5-diene) palladium(II) [PdCl2(cod)] yield the corresponding binuclear palladium complexes with the general formula Pd2Cl4L (L = L-1, L-2, and L-3). The binucleating ligands bind to the palladium ion via the lone pair on the imine nitrogen and amide oxygen atoms, resulting in a square-planar geometry around the metal center. All the palladium catalysts efficiently oligomerize ethylene to produce C-4-C-20 fractions at activities of up to 1308 kg-oligomer mol-Pd-1 bar(-1) h(-1) at 30 degrees C in combination with ethylaluminum sesquichloride. The formation of active sites by the change in geometry of the metal complexes could be traced using spectroscopic and electrochemical techniques. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.03.003
• 作为产物：
  描述：

  4-安替比林甲醛 、 4,4'-亚甲基双(2,6-二乙基苯胺) 在 甲酸 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以41.4%的产率得到4-[[4-[[4-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]-3,5-diethylphenyl]methyl]-2,6-diethylphenyl]iminomethyl]-1,5-dimethyl-2-phenylpyrazol-3-one
  参考文献：
  名称：

  Synthesis of and ethylene oligomerization with binuclear palladium catalysts having sterically modulated bis-imine ligands with methylene spacer

  摘要：

  Sterically modulated bis-imine ligands (L-1-L-3) were prepared by reacting 4,4'-methylene bis-(2,6-dialkyl aniline) and antipyrine-4-carboxaldehyde in a 1: 2 stoichiometric ratio. The reactions of L-1-L-3 with dichloro(cycloocta-1.5-diene) palladium(II) [PdCl2(cod)] yield the corresponding binuclear palladium complexes with the general formula Pd2Cl4L (L = L-1, L-2, and L-3). The binucleating ligands bind to the palladium ion via the lone pair on the imine nitrogen and amide oxygen atoms, resulting in a square-planar geometry around the metal center. All the palladium catalysts efficiently oligomerize ethylene to produce C-4-C-20 fractions at activities of up to 1308 kg-oligomer mol-Pd-1 bar(-1) h(-1) at 30 degrees C in combination with ethylaluminum sesquichloride. The formation of active sites by the change in geometry of the metal complexes could be traced using spectroscopic and electrochemical techniques. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.03.003

文献信息

• Synthesis of and ethylene oligomerization with binuclear palladium catalysts having sterically modulated bis-imine ligands with methylene spacer
  作者：Srinivasa Budagumpi、Yinshan Liu、Hongsuk Suh、Il Kim

  DOI：10.1016/j.jorganchem.2011.03.003

  日期：2011.5

  Sterically modulated bis-imine ligands (L-1-L-3) were prepared by reacting 4,4'-methylene bis-(2,6-dialkyl aniline) and antipyrine-4-carboxaldehyde in a 1: 2 stoichiometric ratio. The reactions of L-1-L-3 with dichloro(cycloocta-1.5-diene) palladium(II) [PdCl2(cod)] yield the corresponding binuclear palladium complexes with the general formula Pd2Cl4L (L = L-1, L-2, and L-3). The binucleating ligands bind to the palladium ion via the lone pair on the imine nitrogen and amide oxygen atoms, resulting in a square-planar geometry around the metal center. All the palladium catalysts efficiently oligomerize ethylene to produce C-4-C-20 fractions at activities of up to 1308 kg-oligomer mol-Pd-1 bar(-1) h(-1) at 30 degrees C in combination with ethylaluminum sesquichloride. The formation of active sites by the change in geometry of the metal complexes could be traced using spectroscopic and electrochemical techniques. (C) 2011 Elsevier B.V. All rights reserved.