dichlorocopper; 1-ethyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]thiourea | 168003-33-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: dichlorocopper; 1-ethyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]thiourea
• 英文别名: dichlorocopper;1-ethyl-3-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]thiourea
• CAS: 168003-33-6
• 化学式: C₁₅H₁₆Cl₂CuN₄S
• 分子量: 418.837
• InChiKey: NCAFDRTWVBRQRH-WECHEHFVSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.69
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  81.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-benzoylpyridine 4-ethyl-3-thiosemicarbazone 、 copper dichloride 以 乙醇 为溶剂， 生成 dichlorocopper; 1-ethyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]thiourea
  参考文献：
  名称：

  Copper(II) complexes of 2-benzoylpyridine 4N-substituted thiosemicarbazones

  摘要：

  2-Benzoylpyridine N-4-substituted thiosemicarbazones commonly coordinate as neutral tridentate ligands to give five coordinate [Cu(HL)Cl-2] complexes when prepared in boiling isopropanol. However, when prepared in boiling ethanol, the anion (loss of the N-3-hydrogen) coordinates as a tridentate ligand to give [CuLCl] complexes. Representative crystal structures of both stoichiometries have been determined. Spectral characterization of both the 2-benzoylpyridine N-4-substituted thiosemicarbazones and their copper(II) complexes includes IR, UV-vis, EPR and NMR studies. Growth inhibition studies of the thiosemicarbazones and their complexes were performed against two human pathogenic fungi.

  DOI：

  10.1016/0277-5387(95)00010-p

文献信息

• Copper(II) complexes of 2-benzoylpyridine 4N-substituted thiosemicarbazones
  作者：Douglas X. West、Janeice S. Ives、Jacqueline Krejci、Michelle M. Salberg、Terri L. Zumbahlen、Gordon A. Bain、Anthony E. Liberta、Jesus Valdes-Martinez、Simon Hernandez-Ortiz、Ruben A. Toscano

  DOI：10.1016/0277-5387(95)00010-p

  日期：1995.8

  2-Benzoylpyridine N-4-substituted thiosemicarbazones commonly coordinate as neutral tridentate ligands to give five coordinate [Cu(HL)Cl-2] complexes when prepared in boiling isopropanol. However, when prepared in boiling ethanol, the anion (loss of the N-3-hydrogen) coordinates as a tridentate ligand to give [CuLCl] complexes. Representative crystal structures of both stoichiometries have been determined. Spectral characterization of both the 2-benzoylpyridine N-4-substituted thiosemicarbazones and their copper(II) complexes includes IR, UV-vis, EPR and NMR studies. Growth inhibition studies of the thiosemicarbazones and their complexes were performed against two human pathogenic fungi.