Ethyl 3-[2-(trifluoromethyl)pyrimidin-5-yl]propanoate | 405139-97-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Ethyl 3-[2-(trifluoromethyl)pyrimidin-5-yl]propanoate
• 英文别名: ethyl 3-[2-(trifluoromethyl)pyrimidin-5-yl]propanoate
• CAS: 405139-97-1
• 化学式: C₁₀H₁₁F₃N₂O₂
• 分子量: 248.205
• InChiKey: NIMAMOHZAPZHRM-UHFFFAOYSA-N

物化性质

• 沸点：
  236.5±40.0 °C(Predicted)
• 密度：
  1.271±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-羟基-2-(三氟甲基)嘧啶-5-甲酸乙酯 在 palladium on activated charcoal 哌啶 、 吡啶 、 草酰氯 、 硫酸 、 氢气 、 二异丁基氢化铝 、 N-乙基异丙基胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 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

文献信息

• Potent, orally active inhibitors of lipoprotein-associated phospholipase A2: 1-(biphenylmethylamidoalkyl)-pyrimidones
  作者：Helen F. Boyd、Stephen C.M. Fell、Deirdre M.B. Hickey、Robert J. Ife、Colin A. Leach、Colin H. Macphee、Kevin J. Milliner、Ivan L. Pinto、D.Anthony Rawlings、Stephen A. Smith、Ian G. Stansfield、Steven J. Stanway、Colin J. Theobald、Caroline M. Whittaker

  DOI：10.1016/s0960-894x(01)00678-3

  日期：2002.1

  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.