1-(3-methoxypropyl)-9-methyl-4-oxo-3-phenyl-4H-pyrido[1,2-a]pyrimidin-1-ium-2-olate | 1263086-49-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1-(3-methoxypropyl)-9-methyl-4-oxo-3-phenyl-4H-pyrido[1,2-a]pyrimidin-1-ium-2-olate
• CAS: 1263086-49-2
• 化学式: C₁₉H₂₀N₂O₃
• 分子量: 324.379
• InChiKey: YTZSHWWMJDQFIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.67
• 重原子数：
  24.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  57.65
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-氟-3-甲基吡啶 以 N-甲基吡咯烷酮 、 甲苯 为溶剂， 生成 1-(3-methoxypropyl)-9-methyl-4-oxo-3-phenyl-4H-pyrido[1,2-a]pyrimidin-1-ium-2-olate
  参考文献：
  名称：

  Mesoionic pyrido[1,2- a ]pyrimidinones: Discovery of dicloromezotiaz as a lepidoptera insecticide acting on nicotinic acetylcholine receptors 1,2

  摘要：

  A novel class of mesoionic pyrido[1,2-a]pyrimidinones has been discovered with exceptional insecticidal activity controlling a number of insect species. In this communication, we report the part of the optimization program that led to the identification of dicloromezotiaz as a potent insecticide to control a broad range of lepidoptera. Our efforts in discovery, synthesis, structure-activity relationship elucidation, and biological activity evaluation are also presented. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2017.01.002