1,4-bis-(N,N-di(1H-pyrazolyl-1-methyl)amine)benzene | 1582774-75-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,4-bis-(N,N-di(1H-pyrazolyl-1-methyl)amine)benzene
• CAS: 1582774-75-1
• 化学式: C₂₂H₂₄N₁₀
• 分子量: 428.5
• InChiKey: JEVKAOKCHOGTHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.72
• 重原子数：
  32.0
• 可旋转键数：
  10.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  77.76
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  1,4-bis-(N,N-di(1H-pyrazolyl-1-methyl)amine)benzene 、 zinc(II) chloride 以 乙醇 为溶剂， 反应 12.0h， 以83%的产率得到1,4-bis-(N,N-di(1H-pyrazolyl-1-methyl)amine)benzene(dichloro)zinc(II)
  参考文献：
  名称：

  Synthesis, structural features, and methyl methacrylate polymerisation of binuclear zinc(II) complexes with tetradentate pyrazolyl ligands

  摘要：

  The reaction of ZnCl2 with ancillary ligands, including 1,4-bis-(N,N-di-(1H-pyrazolyl-1-methyl)amine) benzene (L-1) and 4,4'-bis-(N,N-di(1H-pyrazolyl-1-methyl)phenyl)methane (L-2), in ethanol yields Zn(11) chloride complexes, i.e., 1,4-bis-(N,N-di-(1H-pyrazolyl-1-methyl)amine)benzene(dichloro)Zn(II) [L1Zn2CI4] and 4,4'-bis-(N,N-di-(1H-pyrazolyl-1-methyl)phenyl)methane(dichloro)Zn(11)[L2Zn2Cl4]. The X-ray crystal structures of Zn(II) complexes revealed that they are binuclear, and each zinc atom has a distorted tetrahedral geometry which involves a nitrogen atom from two pyrazole groups and two chloro ligands. The catalytic activity of [L1Zn2Cl4] and [L2Zn2Cl4] for the polymerisation of methyl methacrylate (MMA) in the presence of modified methylaluminoxane (MMAO) increased by twofold compared to the corresponding monomeric Zn(II) complex, N,N-bis(1H-pyrazolyl-1-methyl)aniline(dichloro)Zn(II) [LZnCl2], at 60 degrees C. (C)2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2014.01.038
• 作为产物：
  描述：

  1-吡唑甲醇 、 对苯二胺 以 二氯甲烷 为溶剂， 反应 72.0h， 以95%的产率得到1,4-bis-(N,N-di(1H-pyrazolyl-1-methyl)amine)benzene
  参考文献：
  名称：

  Synthesis, structural features, and methyl methacrylate polymerisation of binuclear zinc(II) complexes with tetradentate pyrazolyl ligands

  摘要：

  The reaction of ZnCl2 with ancillary ligands, including 1,4-bis-(N,N-di-(1H-pyrazolyl-1-methyl)amine) benzene (L-1) and 4,4'-bis-(N,N-di(1H-pyrazolyl-1-methyl)phenyl)methane (L-2), in ethanol yields Zn(11) chloride complexes, i.e., 1,4-bis-(N,N-di-(1H-pyrazolyl-1-methyl)amine)benzene(dichloro)Zn(II) [L1Zn2CI4] and 4,4'-bis-(N,N-di-(1H-pyrazolyl-1-methyl)phenyl)methane(dichloro)Zn(11)[L2Zn2Cl4]. The X-ray crystal structures of Zn(II) complexes revealed that they are binuclear, and each zinc atom has a distorted tetrahedral geometry which involves a nitrogen atom from two pyrazole groups and two chloro ligands. The catalytic activity of [L1Zn2Cl4] and [L2Zn2Cl4] for the polymerisation of methyl methacrylate (MMA) in the presence of modified methylaluminoxane (MMAO) increased by twofold compared to the corresponding monomeric Zn(II) complex, N,N-bis(1H-pyrazolyl-1-methyl)aniline(dichloro)Zn(II) [LZnCl2], at 60 degrees C. (C)2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2014.01.038