1-(1-Benzoyl-piperidin-4-yl)-butane-1,3-dione | 292822-84-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(1-Benzoyl-piperidin-4-yl)-butane-1,3-dione
• CAS: 292822-84-5
• 化学式: C₁₆H₁₉NO₃
• 分子量: 273.332
• InChiKey: VQXWZACIQZXTRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.09
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  54.45
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  盐酸胍 、 1-(1-Benzoyl-piperidin-4-yl)-butane-1,3-dione 在 吡啶 、 potassium carbonate 作用下， 生成 [4-(2-Amino-6-methyl-pyrimidin-4-yl)-piperidin-1-yl]-phenyl-methanone
  参考文献：
  名称：

  Synthesis and bioactivities of novel piperidylpyrimidine derivatives: inhibitors of tumor necrosis factor-alpha production

  摘要：

  New piperidylpyrimidine derivatives, including quinazolines, were prepared, and their abilities to inhibit TNF-alpha production evaluated. Some compounds showed potent inhibitory activity in mouse macrophages stimulated with LPS. The synthesis and structure-activity relationships of these compounds are described. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00227-4
• 作为产物：
  描述：

  1-苯甲酰哌啶-4-羧酸 在 氯化亚砜 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 生成 1-(1-Benzoyl-piperidin-4-yl)-butane-1,3-dione
  参考文献：
  名称：

  Synthesis and bioactivities of novel piperidylpyrimidine derivatives: inhibitors of tumor necrosis factor-alpha production

  摘要：

  New piperidylpyrimidine derivatives, including quinazolines, were prepared, and their abilities to inhibit TNF-alpha production evaluated. Some compounds showed potent inhibitory activity in mouse macrophages stimulated with LPS. The synthesis and structure-activity relationships of these compounds are described. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00227-4