1-benzyl-3-phenethylpiperidine-4-one | 72991-34-5

• 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-benzyl-3-phenethylpiperidine-4-one
• 英文别名: 1-Benzyl-3-(β-phenethyl)-4-piperidon；1-benzyl-3-(2-phenylethyl)piperidin-4-one
• CAS: 72991-34-5
• 化学式: C₂₀H₂₃NO
• 分子量: 293.409
• InChiKey: OGKFJJXOIDCWGG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.71
• 重原子数：
  22.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  20.31
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-benzyl-3-phenethylpiperidine-4-one 在 palladium 10% on activated carbon 、 ammonium formate 、 [双(2-甲氧基乙基)胺]三氟化硫 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 为溶剂， 反应 22.08h， 生成
  参考文献：
  名称：

  Discovery, characterization and biological evaluation of a novel ( R )-4,4-difluoropiperidine scaffold as dopamine receptor 4 (D 4 R) antagonists

  摘要：

  Herein, we report the synthesis and structure-activity relationship of a novel series of (R)-4,4-difluoropiperidine core scaffold as dopamine receptor 4 (D-4) antagonists. A series of compounds from this scaffold are highly potent against the D-4 receptor and selective against the other dopamine receptors. In addition, we were able to confirm the active isomer as the (R)-enantiomer via an X-ray crystal structure. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.10.049
• 作为产物：
  描述：

  methyl 1-benzyl-4-oxo-3-phenethylpiperidine-3-carboxylate 在 lithium chloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 1-benzyl-3-phenethylpiperidine-4-one
  参考文献：
  名称：

  Discovery, characterization and biological evaluation of a novel ( R )-4,4-difluoropiperidine scaffold as dopamine receptor 4 (D 4 R) antagonists

  摘要：

  Herein, we report the synthesis and structure-activity relationship of a novel series of (R)-4,4-difluoropiperidine core scaffold as dopamine receptor 4 (D-4) antagonists. A series of compounds from this scaffold are highly potent against the D-4 receptor and selective against the other dopamine receptors. In addition, we were able to confirm the active isomer as the (R)-enantiomer via an X-ray crystal structure. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.10.049

文献信息

• JAIN N. K. P. C.; ANAND NITYA, INDIAN J. CHEM., 1979, B 17, NO 3, 239-243
  作者：JAIN N. K. P. C.、 ANAND NITYA

  DOI：——

  日期：——