1-(2-Methylsulfanyl-phenyl)-piperidin-4-one | 821792-46-5

• 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: 1-(2-Methylsulfanyl-phenyl)-piperidin-4-one
• 英文别名: 1-[2-(Methylsulfanyl)phenyl]piperidin-4-one；1-(2-methylsulfanylphenyl)piperidin-4-one
• CAS: 821792-46-5
• 化学式: C₁₂H₁₅NOS
• 分子量: 221.323
• InChiKey: PSNLBHLLWWCEPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  45.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-Methylsulfanyl-phenyl)-piperidin-4-one 、 dimethyl 4-(3-(3-(2-aminoethyl)-2-cyanoguanidino)phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate 在 sodium cyanoborohydride 、 zinc(II) chloride 作用下， 以 甲醇 为溶剂， 反应 0.33h， 以86%的产率得到dimethyl 4-[3-[[N-cyano-N'-[2-[[1-(2-methylsulfanylphenyl)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.