3-(2-trifluoromethylpyrimidin-5-yl)acrylic acid | 304903-04-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-(2-trifluoromethylpyrimidin-5-yl)acrylic acid
• 英文别名: 3-[2-(Trifluoromethyl)pyrimidin-5-yl]prop-2-enoic acid
• CAS: 304903-04-6
• 化学式: C₈H₅F₃N₂O₂
• 分子量: 218.135
• InChiKey: QMJMTUQETXWMHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  63.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-(2-trifluoromethylpyrimidin-5-yl)acrylic acid 在 palladium on activated charcoal 硫酸 、 氢气 作用下， 以 乙醇 为溶剂， 生成 Ethyl 3-[2-(trifluoromethyl)pyrimidin-5-yl]propanoate
  参考文献：
  名称：

  Potent, orally active inhibitors of lipoprotein-associated phospholipase A2: 1-(biphenylmethylamidoalkyl)-pyrimidones

  摘要：

  A series of 1-(biphenylmethylamidoalkyl)-pyrimidones has been designed as nanomolar inhibitors of recombinant lipoprotein-associated phospholipase A(2) with high potency in whole human plasma. 5-(Pyrazolylmethyl) derivative 16 and 5-(methoxypyrimidinylmethyl) derivative 27 demonstrated excellent pharmacodynamic profiles which correlated well with their pharmacokinetic effects. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00678-3
• 作为产物：
  描述：

  2-三氟甲基嘧啶-5-羧酸乙酯 在 哌啶 、 吡啶 、 二异丁基氢化铝 作用下， 以 四氢呋喃 为溶剂， 生成 3-(2-trifluoromethylpyrimidin-5-yl)acrylic acid
  参考文献：
  名称：

  Potent, orally active inhibitors of lipoprotein-associated phospholipase A2: 1-(biphenylmethylamidoalkyl)-pyrimidones

  摘要：

  A series of 1-(biphenylmethylamidoalkyl)-pyrimidones has been designed as nanomolar inhibitors of recombinant lipoprotein-associated phospholipase A(2) with high potency in whole human plasma. 5-(Pyrazolylmethyl) derivative 16 and 5-(methoxypyrimidinylmethyl) derivative 27 demonstrated excellent pharmacodynamic profiles which correlated well with their pharmacokinetic effects. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00678-3