2,3-butanedione bis(hexamethyleneiminylthiosemicarbazone) | 907968-15-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: 2,3-butanedione bis(hexamethyleneiminylthiosemicarbazone)
• 英文别名: N-[3-(azepane-1-carbothioylhydrazinylidene)butan-2-ylideneamino]azepane-1-carbothioamide
• CAS: 907968-15-4
• 化学式: C₁₈H₃₂N₆S₂
• 分子量: 396.624
• InChiKey: IUBJLNZJBWCARU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  119
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,3-butanedione bis(hexamethyleneiminylthiosemicarbazone) 、 copper diacetate 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Copper(II) and nickel(II) complexes of 2,3-butanedione bis(N(3)-substituted thiosemicarbazones)

  摘要：

  Copper(II) and nickel(II) complexes of 2,3-butanedione bis(N(3)-methyl-, bis(N(3)-dimethyl-, bis(pyridyl- and bis(hexamethyleneiminylthiosemicarbazone), (H(2)Bu3M, H(2)Bu3DM, H(2)Bupip and H(2)Buhexim, respectively) have been prepared and studied spectroscopically. The four thiosemicarbazones have been characterized by their melting points, as well as IR, electronic and NMR (H-1, C-13) spectra. The four coordinate copper(II) complexes have been studied by EPR spectroscopy and the copper(II) and nickel(II) complexes by a number of the spectroscopic techniques mentioned above. Upon formation of these complexes, loss of the N(2)H hydrogens occurs and the ligands coordinate to the metal centers as dianionic, tetradentate N2S2 ligands. The crystal structures of H(2)Bupip and the nickel(II) complex of 2,3-butanedione N3-methylphenylthiosemicarbazone, [Ni(Bu3MPh)], have been solved. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0277-5387(96)00468-8

文献信息

• Copper(II) and nickel(II) complexes of 2,3-butanedione bis(N(3)-substituted thiosemicarbazones)
  作者：Douglas X. West、Janeice S. Ives、Gordon A. Bain、Anthony E. Liberta、Jesús Valdés-Martínez、Klaus H. Ebert、Simón Hernández-Ortega

  DOI：10.1016/s0277-5387(96)00468-8

  日期：1997.3

  Copper(II) and nickel(II) complexes of 2,3-butanedione bis(N(3)-methyl-, bis(N(3)-dimethyl-, bis(pyridyl- and bis(hexamethyleneiminylthiosemicarbazone), (H(2)Bu3M, H(2)Bu3DM, H(2)Bupip and H(2)Buhexim, respectively) have been prepared and studied spectroscopically. The four thiosemicarbazones have been characterized by their melting points, as well as IR, electronic and NMR (H-1, C-13) spectra. The four coordinate copper(II) complexes have been studied by EPR spectroscopy and the copper(II) and nickel(II) complexes by a number of the spectroscopic techniques mentioned above. Upon formation of these complexes, loss of the N(2)H hydrogens occurs and the ligands coordinate to the metal centers as dianionic, tetradentate N2S2 ligands. The crystal structures of H(2)Bupip and the nickel(II) complex of 2,3-butanedione N3-methylphenylthiosemicarbazone, [Ni(Bu3MPh)], have been solved. (C) 1997 Elsevier Science Ltd.