1,2-bis(quinoline-2-carboxamide)-4,5-dimethyl-benzene | 732283-27-1

• 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: 1,2-bis(quinoline-2-carboxamide)-4,5-dimethyl-benzene
• 英文别名: H2Me2bqb；4,5-Dimethyl-1,2-bis(quinoline-2-carboxamido)benzene；N-[4,5-dimethyl-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide
• CAS: 732283-27-1
• 化学式: C₂₈H₂₂N₄O₂
• 分子量: 446.508
• InChiKey: CQLHJGBVYJTZCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  84
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,2-bis(quinoline-2-carboxamide)-4,5-dimethyl-benzene 、 nickel(II) acetate tetrahydrate 以 甲醇 、 二氯甲烷 为溶剂， 以94%的产率得到(1,2-bis(quinoline-2-carboxamide)-4,5-dimethyl-benzene(2-))nickel(II)
  参考文献：
  名称：

  Benign synthesis of carboxamide ligands, H2Me2bqb and H2Me2bpb. Preparation, characterization and electrochemistry of Ni(II) complexes: The crystal structure of [NiII(Me2bqb)]

  摘要：

  A novel and highly efficient approach for the synthesis of H(2)Me(2)bqb and H(2)Me(2)bpb using ionic liquid as an environmentally benign reaction medium has been developed, eliminating the need for the pyridine as a toxic solvent. The Ni(II) complex of the dianionic ligand Me(2)bqb(2-), [Me(2)bqb(2-) = 1,2-bis(quinoline-2-carboxamide)-4,5-dimethyl-benzene dianion], has been synthesized and characterized by elemental analyses and spectroscopic methods, and the crystal and molecular structure of [Ni(Me(2)bqb)] (1), has been determined by X-ray crystallography. The complex exhibits distorted square-planar NiN4 coordination geometry with two short and two long Ni-N bonds (Ni-N similar to 1.85 and similar to 1.96 angstrom, respectively). The electrochemical behavior of [Ni(Me(2)bqb)] (1), has been studied by cyclic voltammetry and compared with the analogous complex, [Ni(Me(2)bpb)] (2). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.04.017
• 作为产物：
  描述：

  喹哪啶酸 、 4，5-二甲基-1，2-苯二胺 在 亚磷酸三苯酯 、 四丁基溴化铵 作用下， 反应 1.0h， 以75%的产率得到1,2-bis(quinoline-2-carboxamide)-4,5-dimethyl-benzene
  参考文献：
  名称：

  Benign synthesis of carboxamide ligands, H2Me2bqb and H2Me2bpb. Preparation, characterization and electrochemistry of Ni(II) complexes: The crystal structure of [NiII(Me2bqb)]

  摘要：

  A novel and highly efficient approach for the synthesis of H(2)Me(2)bqb and H(2)Me(2)bpb using ionic liquid as an environmentally benign reaction medium has been developed, eliminating the need for the pyridine as a toxic solvent. The Ni(II) complex of the dianionic ligand Me(2)bqb(2-), [Me(2)bqb(2-) = 1,2-bis(quinoline-2-carboxamide)-4,5-dimethyl-benzene dianion], has been synthesized and characterized by elemental analyses and spectroscopic methods, and the crystal and molecular structure of [Ni(Me(2)bqb)] (1), has been determined by X-ray crystallography. The complex exhibits distorted square-planar NiN4 coordination geometry with two short and two long Ni-N bonds (Ni-N similar to 1.85 and similar to 1.96 angstrom, respectively). The electrochemical behavior of [Ni(Me(2)bqb)] (1), has been studied by cyclic voltammetry and compared with the analogous complex, [Ni(Me(2)bpb)] (2). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.04.017