2,2,2-三氟-1-(2-甲氧基-3-吡啶基)乙酮 | 335665-28-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2,2,2-三氟-1-(2-甲氧基-3-吡啶基)乙酮
• 英文名称: 2,2,2-Trifluoro-1-(2-methoxy-pyridin-3-yl)-ethanone
• 英文别名: 2,2,2-Trifluoro-1-(2-methoxypyridin-3-yl)ethanone
• CAS: 335665-28-6
• 化学式: C₈H₆F₃NO₂
• 分子量: 205.136
• InChiKey: GQPZSAWDSUJAGR-UHFFFAOYSA-N

物化性质

• 沸点：
  221.5±35.0 °C(Predicted)
• 密度：
  1.327±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2,2,2-三氟-1-(2-甲氧基-3-吡啶基)乙酮 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 (E)-4-Cyclopropyl-1,1,1-trifluoro-2-(2-methoxy-pyridin-3-yl)-but-3-en-2-ol
  参考文献：
  名称：

  Trifluoromethyl-containing 3-alkoxymethyl- and 3-aryloxymethyl-2-pyridinones are potent inhibitors of hIV-1 non-nucleoside reverse transcriptase

  摘要：

  3-Alkoxymethyl- and 3-aryloxymethyl-2-pyridinones were synthesized and evaluated for activity as non-nucleoside reverse transcriptase inhibitors (NNRTIs) of HIV-I. It was found that several compounds were potent inhibitors of HIV-I with the most potent compound 24 exhibiting an IC90 = 32 nM. Compound 24 also possessed a potent resistance profile as demonstrated by submicromolar IC(90)s against several clinically meaningful mutant virus strains. (C) 2001 DuPont Pharmaceuticals Company. Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00662-4
• 作为产物：
  描述：

  2-甲氧基吡啶 、 三氟乙酸乙酯 在 2-溴-1,3,5-三甲基苯 、 叔丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 2,2,2-三氟-1-(2-甲氧基-3-吡啶基)乙酮
  参考文献：
  名称：

  Trifluoromethyl-containing 3-alkoxymethyl- and 3-aryloxymethyl-2-pyridinones are potent inhibitors of hIV-1 non-nucleoside reverse transcriptase

  摘要：

  3-Alkoxymethyl- and 3-aryloxymethyl-2-pyridinones were synthesized and evaluated for activity as non-nucleoside reverse transcriptase inhibitors (NNRTIs) of HIV-I. It was found that several compounds were potent inhibitors of HIV-I with the most potent compound 24 exhibiting an IC90 = 32 nM. Compound 24 also possessed a potent resistance profile as demonstrated by submicromolar IC(90)s against several clinically meaningful mutant virus strains. (C) 2001 DuPont Pharmaceuticals Company. Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00662-4

文献信息

• Trifluoromethyl-containing 3-alkoxymethyl- and 3-aryloxymethyl-2-pyridinones are potent inhibitors of hIV-1 non-nucleoside reverse transcriptase
  作者：Jeffrey W. Corbett、Kristen J. Kresge、Senliang Pan、Beverly C. Cordova、Ronald M. Klabe、James D. Rodgers、Susan K. Erickson-Viitanen

  DOI：10.1016/s0960-894x(00)00662-4

  日期：2001.2

  3-Alkoxymethyl- and 3-aryloxymethyl-2-pyridinones were synthesized and evaluated for activity as non-nucleoside reverse transcriptase inhibitors (NNRTIs) of HIV-I. It was found that several compounds were potent inhibitors of HIV-I with the most potent compound 24 exhibiting an IC90 = 32 nM. Compound 24 also possessed a potent resistance profile as demonstrated by submicromolar IC(90)s against several clinically meaningful mutant virus strains. (C) 2001 DuPont Pharmaceuticals Company. Published by Elsevier Science Ltd. All rights reserved.