2-bromo-1,3-bis(indazol-2-ylmethyl)benzene | 1350625-00-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 2-bromo-1,3-bis(indazol-2-ylmethyl)benzene
• CAS: 1350625-00-1
• 化学式: C₂₂H₁₇BrN₄
• 分子量: 417.308
• InChiKey: RTMJCWMMROEVKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.25
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  35.64
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  吲唑 、 2-溴-1,3-双(溴乙基)苯 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 72.0h， 以43%的产率得到2-bromo-1,3-bis(indazol-2-ylmethyl)benzene
  参考文献：
  名称：

  Organonickel(II) complexes with anionic tridentate 1, 3-bis(azolylmethyl)phenyl ligands. synthesis, structural characterization and catalytic behavior

  摘要：

  The reaction of 2-bromo-1,3-bis(bromomethyl) benzene with 3,5-dimethylpyrazole and 1H-indazole yields the tridentate ligands 2-bromo-1,3-bis(3,5-dimethylpirazol-1-ylmethyl)benzene (1) and 2-bromo-1,3-bis(indazol-2-ylmethyl)benzene (2). These compounds react with [Ni(cod)(2)] in tetrahydrofuran (thf) to form the oxidative addition complexes [NiBr{1,3-bis(azolylmethyl) phenyl-N, C, N}], azol = 3,5-dimethylpyrazol (3), indazol (4), which were isolated in good yields as stable yellow solids and characterized by elemental analysis, Fourier-transform infrared spectroscopy (FTIR), mass spectroscopy and nuclear magnetic resonance (NMR). In addition, the molecular structures of 2 and 4 were determined by single-crystal X-ray diffraction analysis. Complex 4 was tested as a catalyst in ethylene polymerization reaction.

  DOI：

  10.1590/s0103-50532011000900018