4-(三氟甲基)吡啶-2,6-(1H,3H)-二酮 | 339539-97-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 4-(三氟甲基)吡啶-2,6-(1H,3H)-二酮
• 英文名称: 2,6-dioxo-4-trifluoromethyl-3,6-dihydropyridine
• 英文别名: 4-(Trifluoromethyl)-1,3-dihydropyridine-2,6-dione；4-(trifluoromethyl)-3H-pyridine-2,6-dione
• CAS: 339539-97-8
• 化学式: C₆H₄F₃NO₂
• 分子量: 179.098
• InChiKey: UWDAQMGEJZEAAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(三氟甲基)吡啶-2,6-(1H,3H)-二酮 在 三氯氧磷 作用下， 反应 10.0h， 以30%的产率得到2,6-二氯-4-三氟甲基吡啶
  参考文献：
  名称：

  Synthesis and antitumor evaluation of novel monoindolyl-4-trifluoromethylpyridines and bisindolyl-4-trifluoromethylpyridines

  摘要：

  A series of novel monoindolyl-4-trifluoromethylpyridines and bisindolyl-4-trifluoromethylpyridines was designed and synthesized as potential antitumor agents. They were evaluated for preliminary cytotoxic activity against P388 and A-549 cells with IC50 values. 4-Trifluoromethyl-2,6-bis[3'-(N-tosyl-6'-methoxyl-indolyl)] pyridine was identified as the most potent in this series. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00704-6
• 作为产物：
  描述：

  4-hydroxy-4-trifluoromethyl-1,6-heptadiene 在 甲酸 、 双氧水 、 臭氧 、 尿素 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 42.0h， 生成 4-(三氟甲基)吡啶-2,6-(1H,3H)-二酮
  参考文献：
  名称：

  Synthesis and antitumor evaluation of novel monoindolyl-4-trifluoromethylpyridines and bisindolyl-4-trifluoromethylpyridines

  摘要：

  A series of novel monoindolyl-4-trifluoromethylpyridines and bisindolyl-4-trifluoromethylpyridines was designed and synthesized as potential antitumor agents. They were evaluated for preliminary cytotoxic activity against P388 and A-549 cells with IC50 values. 4-Trifluoromethyl-2,6-bis[3'-(N-tosyl-6'-methoxyl-indolyl)] pyridine was identified as the most potent in this series. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00704-6