3-methyl-2-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one | 80140-43-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3-methyl-2-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
• CAS: 80140-43-8
• 化学式: C₁₆H₂₁NO
• 分子量: 243.349
• InChiKey: JLDSKUJQTWYQGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-methyl-2-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one 在 盐酸 、 sodium nitrite 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 生成 3-methyl-1-nitroso-2-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-4-one
  参考文献：
  名称：

  Conformational Analysis of SubstitutedN-Nitroso-trans-decahydroquinolin-4-ones

  摘要：

  H-1 and C-13 NMR resonance assignments and conformational assignments were carried out for four N-nitroso-2-phenyl-trans-decahydroquinolin-4-ones. In addition to conventional 1D NMR methods, 2D shift-correlated NMR techniques (H-1-H-1 COSY, H-1-H-1 NOESY and H-1-C-13 HETCOR) were used for the signal assignments. At room temperature the title compounds exist in two isomeric forms, The preferred conformations of both the isomers of nitrosamines were determined by a comparison of the spectral data with those for the parent amines, and with the aid of substituent parameters, Molecular strain in nitrosamines is minimized by partial escape of the piperidine moiety into non-chair conformation. (C) 1997 by John Wiley & Sons, Ltd.

  DOI：

  10.1002/(sici)1097-458x(199709)35:9<597::aid-omr125>3.0.co;2-o
• 作为产物：
  描述：

  1-(1-环己烯-1-基)-1-丙酮 、 苯甲醛 在 哌啶 、 乙酸铵 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 3-methyl-2-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
  参考文献：
  名称：

  Baliah, V.; Natarajan, A., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1981, vol. 20, # 9, p. 830

  摘要：

  DOI：

文献信息

• <i>bis</i>(2-Aryldecahydroquinolin-4-onedithiocarbamato)-metal(II) Complexes: A New Preparative Method and Characterization Along with¹³C and¹H NMR Decoupling Studies
  作者：V. Venkatachalam、K. Ramalingam、D. Natarajan、N. Bhavani

  DOI：10.1080/00945719608004332

  日期：1996.5

  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.
• Bhavani, N.; Natarajan, D., Journal of the Indian Chemical Society, 1993, vol. 70, # 3, p. 259 - 260
  作者：Bhavani, N.、Natarajan, D.

  DOI：——

  日期：——