3-ethyl-3-methyl-2-phenyloctahydroquinolin-4(1H)-one | 178395-56-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: 3-ethyl-3-methyl-2-phenyloctahydroquinolin-4(1H)-one
• CAS: 178395-56-7
• 化学式: C₁₈H₂₅NO
• 分子量: 271.403
• InChiKey: SHWRJUFLFYYUPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.88
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  29.1
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  二硫化碳 、 3-ethyl-3-methyl-2-phenyloctahydroquinolin-4(1H)-one 、 copper dichloride 在 氨 、 氯化铵 作用下， 以 水 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  bis(2-Aryldecahydroquinolin-4-onedithiocarbamato)-metal(II) Complexes: A New Preparative Method and Characterization Along with¹³C and¹H NMR Decoupling Studies

  摘要：

  2-Aryldecahydroquinolin-4-ones, unlike mere piperidines, do not form dithiocarbamic acids on addition of carbon disulphide under alkaline condition. Invariably, xanthates are formed when carbon disulphide is added to the amine in the presence of alcohol. In the present study dithiocarbamato complexes involving 2-aryldecahydroquinolin-4-ones and Ni(II) and Cu(II) metal ions are reported for the first time. The deprotonation of 2-aryldecahydroquinolin-4-ones takes place in a NH3/NH4Cl buffer medium (pH=10) in acetonitrile followed by the addition of carbon disulphide and the corresponding aqueous solution of the metal ion. The isolated complexes were of the formula M(Ldtc)(2); M(II) = Ni(II) and Cu(II), Ldtc = 2-aryldecahydroquinolin-4-onedithiocarbamate anion derivatives. These complexes were characterized by microanalyses, IR, UV, TG and mass spectral studies. A representative nickel(II) complex has also been subjected to an extensive H-1 NMR decoupling study along with C-13 NMR and mass spectral analysis, clearly indicating the manifestation of complexation on the stereochemistry of the bicyclic ring of the ligand frame work. H-1 NMR spectral data indicated the significance of the 'thioureide' structure contribution to the stability of the present set of complexes which is not available from IR studies. The downfield shift of the H-1 NMR signals and the upfield shift of the C(2) carbon in C-13 NMR spectra of the complexes indicates that the heterocyclic ring deviates from the normal chair conformation on complexation.

  DOI：

  10.1080/00945719608004332