2-[2-(5-ethyl-2-pyridyl)ethoxy]-5-pyridonitrile | 695171-53-0

• 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: 2-[2-(5-ethyl-2-pyridyl)ethoxy]-5-pyridonitrile
• CAS: 695171-53-0
• 化学式: C₁₅H₁₅N₃O
• 分子量: 253.304
• InChiKey: JUUYAZIUZQFQAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.53
• 重原子数：
  19.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  58.8
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-[2-(5-ethyl-2-pyridyl)ethoxy]-5-pyridonitrile 在 镍 甲酸 作用下， 反应 5.0h， 以35%的产率得到6-[2-(5-Ethyl-pyridin-2-yl)-ethoxy]-pyridine-3-carbaldehyde
  参考文献：
  名称：

  Studies on some glitazones having pyridine as the linker unit

  摘要：

  Molecular modeling on various well-known glitazones carrying a pyridine ring instead of benzene ring as the middle linker unit showed conformational rigidity as compared to their parent molecules. Blocking the lone pair of electrons on the pyridine N, made them flexible once again. A few representatives of these analogues were synthesized and their efficacy as PPARgamma agonists evaluated. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.11.027
• 作为产物：
  描述：

  6-氯吡啶-3-羰酰氯 在 氨 、 sodium hydride 、 三氯氧磷 作用下， 以 四氢呋喃 、 乙醚 、 氯仿 为溶剂， 反应 4.5h， 生成 2-[2-(5-ethyl-2-pyridyl)ethoxy]-5-pyridonitrile
  参考文献：
  名称：

  Studies on some glitazones having pyridine as the linker unit

  摘要：

  Molecular modeling on various well-known glitazones carrying a pyridine ring instead of benzene ring as the middle linker unit showed conformational rigidity as compared to their parent molecules. Blocking the lone pair of electrons on the pyridine N, made them flexible once again. A few representatives of these analogues were synthesized and their efficacy as PPARgamma agonists evaluated. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2003.11.027