2-oxo-4-(4-(trifluoromethyl)phenyl)but-3-enoic acid | 74070-06-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 2-oxo-4-(4-(trifluoromethyl)phenyl)but-3-enoic acid
• CAS: 74070-06-7
• 化学式: C₁₁H₇F₃O₃
• 分子量: 244.17
• InChiKey: RVEZPPFXJKLWGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.37
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  54.37
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2-oxo-4-(4-(trifluoromethyl)phenyl)but-3-enoic acid 、 (S)-N-((3-(3-氟-4-(哌嗪-1-基)苯基)-2-氧代噁唑啉-5-基)甲基)乙酰胺 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 生成
  参考文献：
  名称：

  Novel 4-N-substituted aryl but-3-ene-1,2-dione derivatives of piperazinyloxazolidinones as antibacterial agents

  摘要：

  Novel (5S)-N-[3-(3-fluoro-4-{4-[2-oxo-4-(substituted aryl)-but-3-enoyl]-piperazin-1-yl}-phenyl)-2-oxooxazolidin-5-ylmethyl]-acetamide 3a-j analogues were synthesized and their in vitro antibacterial activity was evaluated. Most of the compounds of series showed superior in vitro activity against Gram-positive resistant strains than linezolid. Compound 3f is the most potent compound in the series with 0.040.39 mu g/mL MIC. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.106
• 作为产物：
  描述：

  对三氟甲基苯甲醛 、 丙酮酸 在 potassium hydroxide 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 生成 2-oxo-4-(4-(trifluoromethyl)phenyl)but-3-enoic acid
  参考文献：
  名称：

  Novel 4-N-substituted aryl but-3-ene-1,2-dione derivatives of piperazinyloxazolidinones as antibacterial agents

  摘要：

  Novel (5S)-N-[3-(3-fluoro-4-{4-[2-oxo-4-(substituted aryl)-but-3-enoyl]-piperazin-1-yl}-phenyl)-2-oxooxazolidin-5-ylmethyl]-acetamide 3a-j analogues were synthesized and their in vitro antibacterial activity was evaluated. Most of the compounds of series showed superior in vitro activity against Gram-positive resistant strains than linezolid. Compound 3f is the most potent compound in the series with 0.040.39 mu g/mL MIC. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.106