bis(1,3-bis(methylbenzimidazol-2-ylimino)isoindol-2-ido)copper(II) | 1338085-08-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: bis(1,3-bis(methylbenzimidazol-2-ylimino)isoindol-2-ido)copper(II)
• CAS: 1338085-08-7
• 化学式: C₄₈H₃₆CuN₁₄
• 分子量: 872.454
• InChiKey: JXFRUSNZOBHOQA-UHFFFAOYSA-N

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

• 作为产物：
  描述：

  1,3-bis-(N-methyl-2′-benzimidazolylimino)isoindoline 、 copper(II) methoxide 以 甲醇 、 乙腈 为溶剂， 以91%的产率得到bis(1,3-bis(methylbenzimidazol-2-ylimino)isoindol-2-ido)copper(II)
  参考文献：
  名称：

  Tetra-, penta- and hexacoordinate copper(II) complexes with N3 donor isoindoline-based ligands: Characterization and SOD-like activity

  摘要：

  Reaction of 1,3-bis(2'-Ar-imino)isoindolines (HLn, n = 1-7, Ar = benzimidazolyl, N-methylbenzimidazolyl, thiazolyl, pyridyl, 3-methylpyridyl, 4-methylpyridyl, and benzthiazolyl, respectively) with Cu(OCH3)(2) yields mononuclear hexacoordinate complexes with Cu(L-n)(2) composition. With cupric perchlorate square-pyramidal [Cu-II(HLn)(NCCH3)(OClO3)]ClO4 complexes (n = 1, 3, 4) were isolated as perchlorate salts, whereas with chloride Cu-II(HLn)Cl-2 (n = 1, 4), or square-planar (CuCl2)-Cl-II(HLn) (n = 2, 3, 7) complexes are formed. The X-ray crystal structures of Cu(L-3)(2), Cu(L-5)(2), [Cu-II(HL4)(NCCH3)(OClO3)]ClO4, (CuCl)-Cl-II(L-2) and (CuCl)-Cl-II(L-7) are presented along with electrochemical and spectral (UV-Vis, FT-IR and X-band EPR) characterization for each compound. When combined with base, the isoindoline ligands in the [Cu-II(HLn)(NCCH3)(OClO3)]ClO4 complexes undergo deprotonation in solution that is reversible and induces UV-Vis spectral changes. Equilibrium constants for the dissociation are calculated. X-band EPR measurements in frozen solution show that the geometry of the complexes is similar to the corresponding X-ray crystallographic structures. The superoxide scavenging activity of the compounds determined from the McCord-Fridovich experiment show dependence on structural features and reduction potentials. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.06.001