5-Methoxy-2-trifluoromethyl-pyridine-4-carbaldehyde | 910032-92-7

• 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
• 英文名称: 5-Methoxy-2-trifluoromethyl-pyridine-4-carbaldehyde
• 英文别名: 5-Methoxy-2-(trifluoromethyl)isonicotinaldehyde；5-methoxy-2-(trifluoromethyl)pyridine-4-carbaldehyde
• CAS: 910032-92-7
• 化学式: C₈H₆F₃NO₂
• 分子量: 205.136
• InChiKey: BURQGBXYNCOZSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 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

反应信息

• 作为反应物：
  描述：

  5-Methoxy-2-trifluoromethyl-pyridine-4-carbaldehyde 在 palladium on activated charcoal 正丁基锂 、 氢气 、 三氯化硼 、 四丁基碘化铵 、 potassium carbonate 、 potassium iodide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， -78.0~20.0 ℃ 、100.0 kPa 条件下， 反应 48.0h， 生成
  参考文献：
  名称：

  Studies towards the conception of new selective PPARβ/δ ligands

  摘要：

  In order to define new PPAR beta/delta ligands, SAR study on the selective PPAR beta/delta activator L-165,041 led to the identification of one key functional group for selective PPAR beta/delta activation. Further-more, taking advantage of SAR studies done elsewhere on the most selective PPAR beta/delta ligand GW501516, the conception of new ligands showing good affinity for PPAR beta/delta is reported. Finally, synthesis and biological evaluation of pyridine analogues have shown the benefical effect of the pyridine ring on the PPAR beta/ delta subtype selectivity. (c) 2006 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2006.06.028
• 作为产物：
  描述：

  5-溴-2-三氟甲基吡啶 在 叔丁基锂 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 5-Methoxy-2-trifluoromethyl-pyridine-4-carbaldehyde
  参考文献：
  名称：

  Studies towards the conception of new selective PPARβ/δ ligands

  摘要：

  In order to define new PPAR beta/delta ligands, SAR study on the selective PPAR beta/delta activator L-165,041 led to the identification of one key functional group for selective PPAR beta/delta activation. Further-more, taking advantage of SAR studies done elsewhere on the most selective PPAR beta/delta ligand GW501516, the conception of new ligands showing good affinity for PPAR beta/delta is reported. Finally, synthesis and biological evaluation of pyridine analogues have shown the benefical effect of the pyridine ring on the PPAR beta/ delta subtype selectivity. (c) 2006 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2006.06.028

文献信息

• Studies towards the conception of new selective PPARβ/δ ligands
  作者：Carine Ekambomé Basséne、Franck Suzenet、Nathalie Hennuyer、Bart Staels、Daniel-Henri Caignard、Catherine Dacquet、Pierre Renard、Gérald Guillaumet

  DOI：10.1016/j.bmcl.2006.06.028

  日期：2006.9

  In order to define new PPAR beta/delta ligands, SAR study on the selective PPAR beta/delta activator L-165,041 led to the identification of one key functional group for selective PPAR beta/delta activation. Further-more, taking advantage of SAR studies done elsewhere on the most selective PPAR beta/delta ligand GW501516, the conception of new ligands showing good affinity for PPAR beta/delta is reported. Finally, synthesis and biological evaluation of pyridine analogues have shown the benefical effect of the pyridine ring on the PPAR beta/ delta subtype selectivity. (c) 2006 Published by Elsevier Ltd.