(E)-2-aminoacetophenone Schiff base of S-methyldithiocarbazate | 1412455-35-6

• 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: (E)-2-aminoacetophenone Schiff base of S-methyldithiocarbazate
• CAS: 1412455-35-6
• 化学式: C₁₀H₁₃N₃S₂
• 分子量: 239.365
• InChiKey: PYCQTOAOAVWWEH-KPKJPENVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.23
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  50.41
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 (E)-2-aminoacetophenone Schiff base of S-methyldithiocarbazate 以 乙腈 为溶剂， 反应 0.08h， 以60%的产率得到
  参考文献：
  名称：

  Synthesis, characterization and X-ray crystal structures of thiolate sulfur-bridged dimeric copper(II) complexes of the 2-aminoacetophenone Schiff base of S-methyldithiocarbazate

  摘要：

  Copper(II) complexes of general empirical formula, Cu(apsme)X (apsme = monodeprotonated form of the 2-aminoacetophenone Schiff base of S-methyldithiocarbazate (Hapsme); X = Cl-, Br-, NCS-) have been prepared and characterised by a variety of physico-chemical techniques. The crystal and molecular structures of the Schiff base, Hapsme (1), [Cu(apsme)Br] (2), [Cu(apsme)(NCS)] (3) and [Cu(apsme)Cl] (4) have been determined by X-ray diffraction. In the solid state the copper(II) complexes 2, 3 and 4 are dimers in which the anionic Schiff base, (apsme(-)) coordinates with a copper(II) ion as a tridentate NNS chelating agent via the amino nitrogen atom, the azomethine nitrogen atom and the thiolate sulfur atom. The fourth and fifth coordination positions of a copper atom are occupied by a co-ligand and bridging thiolate sulfur atoms, respectively. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.08.024
• 作为产物：
  描述：

  肼基二硫代甲酸甲酯 、 邻氨基苯乙酮 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 3.5h， 以50%的产率得到(E)-2-aminoacetophenone Schiff base of S-methyldithiocarbazate
  参考文献：
  名称：

  Synthesis, characterization and X-ray crystal structures of thiolate sulfur-bridged dimeric copper(II) complexes of the 2-aminoacetophenone Schiff base of S-methyldithiocarbazate

  摘要：

  Copper(II) complexes of general empirical formula, Cu(apsme)X (apsme = monodeprotonated form of the 2-aminoacetophenone Schiff base of S-methyldithiocarbazate (Hapsme); X = Cl-, Br-, NCS-) have been prepared and characterised by a variety of physico-chemical techniques. The crystal and molecular structures of the Schiff base, Hapsme (1), [Cu(apsme)Br] (2), [Cu(apsme)(NCS)] (3) and [Cu(apsme)Cl] (4) have been determined by X-ray diffraction. In the solid state the copper(II) complexes 2, 3 and 4 are dimers in which the anionic Schiff base, (apsme(-)) coordinates with a copper(II) ion as a tridentate NNS chelating agent via the amino nitrogen atom, the azomethine nitrogen atom and the thiolate sulfur atom. The fourth and fifth coordination positions of a copper atom are occupied by a co-ligand and bridging thiolate sulfur atoms, respectively. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.08.024