5-amino-7-(2-bromo-4-fluoro-5-methylphenyl)-1-[(6-chloropyridin-3-yl)methyl]-8-nitro-3,7-dihydro-2H-imidazo[1,2-a]pyridine-6-carbonitrile | 1204654-02-3

• 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-7-(2-bromo-4-fluoro-5-methylphenyl)-1-[(6-chloropyridin-3-yl)methyl]-8-nitro-3,7-dihydro-2H-imidazo[1,2-a]pyridine-6-carbonitrile
• CAS: 1204654-02-3
• 化学式: C₂₁H₁₇BrClFN₆O₂
• 分子量: 519.76
• InChiKey: HJILPCDBVQBHJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  115
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-溴-4-氟-5-甲基苯甲醛 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 5-amino-7-(2-bromo-4-fluoro-5-methylphenyl)-1-[(6-chloropyridin-3-yl)methyl]-8-nitro-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

文献信息

• Design, Multicomponent Synthesis, and Bioactivities of Novel Neonicotinoid Analogues with 1,4-Dihydropyridine Scaffold
  作者：Wenwen Zhang、Xiaobao Yang、Weidong Chen、Xiaoyong Xu、Lu Li、Hongbin Zhai、Zhong Li

  DOI：10.1021/jf902034z

  日期：2010.3.10

  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).