N-((2-chlorothiazol-5-yl)methyl)-N-methyl-2-nitroethene-1,1-diamine | 120739-34-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-((2-chlorothiazol-5-yl)methyl)-N-methyl-2-nitroethene-1,1-diamine
• 英文别名: chlothianidin；1-N'-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-N-methyl-2-nitroethene-1,1-diamine
• CAS: 120739-34-6
• 化学式: C₇H₉ClN₄O₂S
• 分子量: 248.693
• InChiKey: DKFULOKWTZHCNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  丙醇 、 N-((2-chlorothiazol-5-yl)methyl)-N-methyl-2-nitroethene-1,1-diamine 、 丁烯-2-醛 在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 以13.9%的产率得到N-((2-chlorothiazol-5-yl)methyl)-1,4-dimethyl-3-nitro-6-propoxy-1,4,5,6-tetrahydropyridin-2-amine
  参考文献：
  名称：

  Design, Synthesis, and Particular Biological Behaviors of Chain-Opening Nitromethylene Neonicotinoids with Cis Configuration

  摘要：

  On the basis of the structure of heterocyclic-fused cis configuration derivatives and chain-opening neonicotinoids, two series of novel chain-opening tetrahydropyridine analogues were designed and synthesized. The preliminary bioassay tests were determined on cowpea aphid (Aphis craccivora) and armyworm (Pseudaletia separata Walker). The results showed that some of the target compounds exhibited repellent effects, whereas others showed good insecticidal activities.

  DOI：

  10.1021/jf203068a
• 作为产物：
  描述：

  N-((2-chlorothiazol-5-yl)methyl)-1-(methylthio)-2-nitroethenamine 、 甲胺 以 乙醇 为溶剂， 生成 N-((2-chlorothiazol-5-yl)methyl)-N-methyl-2-nitroethene-1,1-diamine
  参考文献：
  名称：

  Design, Synthesis, and Particular Biological Behaviors of Chain-Opening Nitromethylene Neonicotinoids with Cis Configuration

  摘要：

  On the basis of the structure of heterocyclic-fused cis configuration derivatives and chain-opening neonicotinoids, two series of novel chain-opening tetrahydropyridine analogues were designed and synthesized. The preliminary bioassay tests were determined on cowpea aphid (Aphis craccivora) and armyworm (Pseudaletia separata Walker). The results showed that some of the target compounds exhibited repellent effects, whereas others showed good insecticidal activities.

  DOI：

  10.1021/jf203068a