5-amino-1-[(6-chloropyridin-3-yl)methyl]-8-nitro-7-[4-(trifluoromethoxy)phenyl]-3,7-dihydro-2H-imidazo[1,2-a]pyridine-6-carbonitrile | 1204653-96-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: 5-amino-1-[(6-chloropyridin-3-yl)methyl]-8-nitro-7-[4-(trifluoromethoxy)phenyl]-3,7-dihydro-2H-imidazo[1,2-a]pyridine-6-carbonitrile
• CAS: 1204653-96-2
• 化学式: C₂₁H₁₆ClF₃N₆O₃
• 分子量: 492.845
• InChiKey: JBOJTGOMHNXIHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  124
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  2-(4-trifluoromethoxybenzylidene)malononitrile 、 2-氯-5-[[(2Z)-2-(硝基亚甲基)咪唑烷-1-基]甲基]吡啶 以 乙醇 为溶剂， 生成 5-amino-1-[(6-chloropyridin-3-yl)methyl]-8-nitro-7-[4-(trifluoromethoxy)phenyl]-3,7-dihydro-2H-imidazo[1,2-a]pyridine-6-carbonitrile
  参考文献：
  名称：

  Design, Multicomponent Synthesis, and Bioactivities of Novel Neonicotinoid Analogues with 1,4-Dihydropyridine Scaffold

  摘要：

  Novel neonicotinoid analogues bearing a 1,4-dihydropridine scaffold were designed and synthesized by multicomponent reactions (MCRs) to enhance pi-pi stacking. The synthesized compounds were identified by H-1 NMR, C-13 NMR, high-resolution mass spectroscopy, and elemental analysis. Bioassay tests showed that some of them exhibited high insecticidal activities against pea aphid (Aphis craccivora).

  DOI：

  10.1021/jf902034z