| 873778-87-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑啉类
• CAS: 873778-87-1
• 化学式: C₁₄H₂₀N₆O₂S₂Zn
• 分子量: 433.874
• InChiKey: MVSIEHPBCOGXGG-UHFFFAOYSA-L

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：

  methyl acetoacetate-(1)N-ethyl thiosemicarbazone 、 zinc diacetate 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Zn(II) pyrazolonate complexes obtained by metal-induced cyclization of thiosemicarbazones: Crystal structures and spectroscopic properties

  摘要：

  The reaction of zinc(II) acetate with thiosemicarbazones derived from P-keto esters (methyl propionylacetate thiosemicarbazone, ethyl benzoylacetate thiosemicarbazone, ethyl 2-ethylacetoacetate thiosemicarbazone and methyl acetoacetate N-1-ethylthiosemicarbazone) induces the cyclization of the thiosemicarbazone to afford [ZnL2] and (in one case) [ZnL2(MeOH)] complexes, where HL is a substituted 2,5-dihydro-5-oxo-1H-pyrazolone-1-carbothioamide. The four complexes were studied by X-ray diffraction, which showed that the pyrazolonate ligand binds with the metal through the S and N(3) atoms. The influence of cyclization and metallation on the H-1 and C-13 NMR spectra of the starting thiosemicarbazones is also discussed. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.06.040