| 135755-55-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 135755-55-4
• 化学式: C₂₄H₃₂N₆O₄S₄
• 分子量: 596.82
• InChiKey: KPURSCVJJSMASP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.25
• 重原子数：
  38.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  129.86
• 氢给体数：
  4.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  、 copper(II) acetate monohydrate 在 pyridine 作用下， 以 甲醇 、 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, demetallation, remetallation and transmetallation of new mono- and binuclear schiff base complexes

  摘要：

  New mono- and binuclear nickel(II) complexes [PyNi(ONS-COPh)] and [PyNi(ONS-CO)]2-C6H4 have been prepared by a nucleophilic substitution reaction of the C-H methine-containing complex, mono-pyridine-S-methyl-N-acetylacetonehydrazine-carbodithioate nickel(II) [PyNi(HONS)], with benzoyl chloride and phthaloyl dichloride, respectively. Reaction of phenylisocyanate and m-xylene diisocyanate to [PyNi(HONS)] also gave new mono- and binuclear nickel(II) complexes, [PyNi(ONS-CONHPh)] and [PyNi(ONS-CONH)]2-m-xyl, respectively. The demetallation and transmetallation of the prepared nickel(II) complexes with Na2EDTA and copper(II) acetate monohydrate afford the corresponding mono- and binucleating ligands and mono- and binuclear copper(II) complexes, respectively. The conditions of the reliable demetallation and transmetallation reactions are described. The copper(II) complexes are also synthesized from the reaction of copper(II) acetate with the free ligands. All new compounds are characterized by various physical techniques. The mono- and binuclear nickel(II) and copper(II) complexes display magnetic and spectroscopic behaviour characteristic of square planar complexes. The ESR spectra of the mono- and binuclear copper(II) complexes are similar, indicating the absence of any magnetic coupling between the metal centres.

  DOI：

  10.1016/s0277-5387(00)83609-8