1-[2-(三氟甲基)苯基]-4-哌啶酮 | 821792-43-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-[2-(三氟甲基)苯基]-4-哌啶酮
• 英文名称: 1-(2-Trifluoromethyl-phenyl)-piperidin-4-one
• 英文别名: 1-(2-(Trifluoromethyl)phenyl)piperidin-4-one；1-[2-(trifluoromethyl)phenyl]piperidin-4-one
• CAS: 821792-43-2
• 化学式: C₁₂H₁₂F₃NO
• mdl: MFCD09950221
• 分子量: 243.229
• InChiKey: PDLPWRJQBMLHBW-UHFFFAOYSA-N

物化性质

• 沸点：
  320.8±42.0 °C(Predicted)
• 密度：
  1.268±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-[2-(三氟甲基)苯基]-4-哌啶酮 、 dimethyl 4-(3-(3-(2-aminoethyl)-2-cyanoguanidino)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate 在 protic acid 、 sodium cyanoborohydride 作用下， 以31%的产率得到dimethyl 4-[3-[[N-cyano-N'-[2-[[1-[2-(trifluoromethyl)phenyl]piperidin-4-yl]amino]ethyl]carbamimidoyl]amino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  参考文献：
  名称：

  Isosteric N-arylpiperazine replacements in a series of dihydropyridine NPY1 receptor antagonists

  摘要：

  4-Amino-N-arylpiperidines serve as effective bioisosteres for N-arylpiperazines in the series of dihydropyridine NPY1 receptor antagonists. These were prepared by a ZnCl2-mediated reductive amination reaction between elaborated primary amines, 2 or 5, and 4-arylpiperidones. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.10.005

文献信息

• Isosteric N-arylpiperazine replacements in a series of dihydropyridine NPY1 receptor antagonists
  作者：Guanglin Luo、Gail K. Mattson、Marc A. Bruce、Henry Wong、Brian J. Murphy、Daniel Longhi、Ildiko Antal-Zimanyi、Graham S. Poindexter

  DOI：10.1016/j.bmcl.2004.10.005

  日期：2004.12

  4-Amino-N-arylpiperidines serve as effective bioisosteres for N-arylpiperazines in the series of dihydropyridine NPY1 receptor antagonists. These were prepared by a ZnCl2-mediated reductive amination reaction between elaborated primary amines, 2 or 5, and 4-arylpiperidones. (C) 2004 Elsevier Ltd. All rights reserved.