cis-2,6-bis(2-chlorophenyl)-3,3-dimethylpiperidin-4-one

• 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: cis-2,6-bis(2-chlorophenyl)-3,3-dimethylpiperidin-4-one
• 英文别名: (2S,6R)-2,6-bis(2-chlorophenyl)-3,3-dimethylpiperidin-4-one
• 化学式: C₁₉H₁₉Cl₂NO
• 分子量: 348.272
• InChiKey: GNJGBEZHBRQFIV-SJLPKXTDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-甲基-2-丁酮 、 2-氯苯甲醛 在 ammonium acetate 作用下， 以 乙醇 为溶剂， 反应 0.5h， 生成 cis-2,6-bis(2-chlorophenyl)-3,3-dimethylpiperidin-4-one
  参考文献：
  名称：

  Growth, thermal, mechanical, structural and optical properties of organic NLO crystals of novel cis-2,6-bis(2-chlorophenyl)-3,3-dimethylpiperidin-4-one

  摘要：

  An organic NLO material viz., cis-2,6-bis(2-chlorophenyl)-3,3-dimethylpiperidin-4-one (2C3DMPO), has been synthesized and a slow evaporation technique was applied to produce a single crystal. X-ray diffraction study on the single crystal 2C3DMPO reveals a non-centro symmetric crystal, possessing a monoclinic space group P2(1) and prefers to adopt a chair conformation. The crystal has been characterised using UV, FT-IR and NMR spectral studies. Solubility study and mechanical study using micro hardness methods have also been carried out. Furthermore, the thermal stability of the crystal was established by TG/DTA. The second harmonic conversion efficiency of the crystal was determined using the Kurtz and Perry powder technique and the activity observed was 3.83 times greater than that of KDP. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2014.10.063

文献信息

• Growth, thermal, mechanical, structural and optical properties of organic NLO crystals of novel cis-2,6-bis(2-chlorophenyl)-3,3-dimethylpiperidin-4-one
  作者：S. Ponnuswamy、V. Mohanraj、S.S. Ilango、M. Thenmozhi、M.N. Ponnuswamy

  DOI：10.1016/j.molstruc.2014.10.063

  日期：2015.2

  An organic NLO material viz., cis-2,6-bis(2-chlorophenyl)-3,3-dimethylpiperidin-4-one (2C3DMPO), has been synthesized and a slow evaporation technique was applied to produce a single crystal. X-ray diffraction study on the single crystal 2C3DMPO reveals a non-centro symmetric crystal, possessing a monoclinic space group P2(1) and prefers to adopt a chair conformation. The crystal has been characterised using UV, FT-IR and NMR spectral studies. Solubility study and mechanical study using micro hardness methods have also been carried out. Furthermore, the thermal stability of the crystal was established by TG/DTA. The second harmonic conversion efficiency of the crystal was determined using the Kurtz and Perry powder technique and the activity observed was 3.83 times greater than that of KDP. (C) 2014 Elsevier B.V. All rights reserved.