2-amino-4-(n-heptyl)-6-(phenylsulfanyl)-3,5-pyridinedicarbonitrile | 1373941-17-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-amino-4-(n-heptyl)-6-(phenylsulfanyl)-3,5-pyridinedicarbonitrile
• CAS: 1373941-17-3
• 化学式: C₂₀H₂₂N₄S
• 分子量: 350.487
• InChiKey: ORNKRFVTOFSKQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.07
• 重原子数：
  25.0
• 可旋转键数：
  8.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  86.49
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  在 potassium permanganate 作用下， 以 乙醇 、 水 为溶剂， 反应 1.0h， 生成 2-amino-4-(n-heptyl)-6-(phenylsulfanyl)-3,5-pyridinedicarbonitrile
  参考文献：
  名称：

  K₂CO₃-Mediated, One-Pot, Multicomponent Synthesis of Medicinally Potent Pyridine and Chromeno[2,3-b]pyridine Scaffolds

  摘要：

  An efficient one-pot, multicomponent synthesis of 3,5-dicyanopyridines has been developed from the reaction of malononitrile and different thiophenol or thiols with a variety of aldehydes (aromatic including hindered ones, heteroaromatic, and aliphatic) in the presence of 20 mol% of K2CO3 in refluxing 50% aqeuous ethanol. KMnO4 has been utilized as a readily available, inexpensive oxidant for the in situ transformation of the initially formed dihydropyridine intermediate. K2CO3 also mediates the one-pot formation of chromeno[2,3-b]pyridines from reaction of salicylaldehyde or its analogs with malononitrile and thiol or thiophenols. Both of these conditions also work equally well under 50-fold scale-up conditions.Supplemental materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) to view the free supplemental file.

  DOI：

  10.1080/00397911.2011.555284