1-acetylferrocenethiosemicarbazone | 51951-51-0

• 分子结构分类: 有机化合物
• 英文名称: 1-acetylferrocenethiosemicarbazone
• 英文别名: cyclopenta-1,3-diene;(1-cyclopenta-2,4-dien-1-ylethylideneamino)thiourea;iron(2+)
• CAS: 51951-51-0；686289-82-7
• 化学式: C₁₃H₁₅FeN₃S
• 分子量: 301.195
• InChiKey: RGVZGSURGSPUEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.37
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  82.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  二氯二茂钛 、 1-acetylferrocenethiosemicarbazone 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 Cp2TiCl(1-acetylferrocenethiosemicarbazone(-H))
  参考文献：
  名称：

  Microwave-assisted synthesis of nitrogen-sulfur and nitrogen-oxygen donor ferrocene-containing ligands and their organotitanium(IV) and organozirconium(IV) complexes

  摘要：

  The synthetic routes and spectroscopic studies of organotitanium(IV) and organozirconium(IV) complexes derived from azomethines, 1-acetylferrocenethiosemicarbazone ((LH)-H-1) and 1-acetylferrocenesemi-carbazone ((LH)-H-2), have been carried out in 1 : 1 and 1 : 2 stoichiometric ratios. Azomethines and their complexes have been characterized by elemental analyses, conductance measurements, molecular weight determinations, and spectral studies. The electronic, IR, and H-1 NMR and C-13 NMR spectral data indicate that azomethines act as bidentate ligands and coordinate to the metal (Ti or Zr) via nitrogen and the sulfur or oxygen atoms giving trigonal bipyramidal and octahedral geometries for the resulting complexes. All the ligands and their complexes have been screened for their biological activity on several pathogenic fungi and bacteria and were found positive in this respect.

  DOI：

  10.1134/s1070328408050059
• 作为产物：
  描述：

  乙酰基二茂铁 、 氨基硫脲单盐酸盐 在 sodium acetate 作用下， 以 乙醇 为溶剂， 生成 1-acetylferrocenethiosemicarbazone
  参考文献：
  名称：

  Microwave-assisted synthesis of nitrogen-sulfur and nitrogen-oxygen donor ferrocene-containing ligands and their organotitanium(IV) and organozirconium(IV) complexes

  摘要：

  The synthetic routes and spectroscopic studies of organotitanium(IV) and organozirconium(IV) complexes derived from azomethines, 1-acetylferrocenethiosemicarbazone ((LH)-H-1) and 1-acetylferrocenesemi-carbazone ((LH)-H-2), have been carried out in 1 : 1 and 1 : 2 stoichiometric ratios. Azomethines and their complexes have been characterized by elemental analyses, conductance measurements, molecular weight determinations, and spectral studies. The electronic, IR, and H-1 NMR and C-13 NMR spectral data indicate that azomethines act as bidentate ligands and coordinate to the metal (Ti or Zr) via nitrogen and the sulfur or oxygen atoms giving trigonal bipyramidal and octahedral geometries for the resulting complexes. All the ligands and their complexes have been screened for their biological activity on several pathogenic fungi and bacteria and were found positive in this respect.

  DOI：

  10.1134/s1070328408050059