methyl 5-bromomethyl-2-chloronicotinate | 887707-37-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: methyl 5-bromomethyl-2-chloronicotinate
• 英文别名: Methyl 5-(bromomethyl)-2-chloro-3-pyridinecarboxylate；methyl 5-(bromomethyl)-2-chloropyridine-3-carboxylate
• CAS: 887707-37-1
• 化学式: C₈H₇BrClNO₂
• 分子量: 264.506
• InChiKey: IIZIDXSLWOEMAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 5-bromomethyl-2-chloronicotinate 、 2-硝基亚氨基咪唑烷 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 1-(6-chloro-5-methoxycarbonylpyridin-3-ylmethyl)-2-nitroiminoimidazolidine
  参考文献：
  名称：

  Methyl, Trifluoromethyl, and Methoxycarbonyl—Introduction to the Fifth Position on the Pyridine Ring of Chloronicotinyl Insecticide Imidacloprid

  摘要：

  Imidacloprid is the first chloronicotinyl insecticide and is currently the largest-selling insecticide worldwide. As a project to find its variants of different insecticidal spectra, derivatives substituted with methyl, trifluoromethyl, and methoxycarbonyl at the fifth position on the pyridine ring of imidacloprid were prepared.

  DOI：

  10.1080/00397910500516134
• 作为产物：
  描述：

  2-氯-5-甲基烟酸甲酯 在 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 以 四氯化碳 为溶剂， 反应 1.0h， 生成 methyl 5-bromomethyl-2-chloronicotinate
  参考文献：
  名称：

  Methyl, Trifluoromethyl, and Methoxycarbonyl—Introduction to the Fifth Position on the Pyridine Ring of Chloronicotinyl Insecticide Imidacloprid

  摘要：

  Imidacloprid is the first chloronicotinyl insecticide and is currently the largest-selling insecticide worldwide. As a project to find its variants of different insecticidal spectra, derivatives substituted with methyl, trifluoromethyl, and methoxycarbonyl at the fifth position on the pyridine ring of imidacloprid were prepared.

  DOI：

  10.1080/00397910500516134

文献信息

• Methyl, Trifluoromethyl, and Methoxycarbonyl—Introduction to the Fifth Position on the Pyridine Ring of Chloronicotinyl Insecticide Imidacloprid
  作者：Shinzo Kagabu

  DOI：10.1080/00397910500516134

  日期：2006.5

  Imidacloprid is the first chloronicotinyl insecticide and is currently the largest-selling insecticide worldwide. As a project to find its variants of different insecticidal spectra, derivatives substituted with methyl, trifluoromethyl, and methoxycarbonyl at the fifth position on the pyridine ring of imidacloprid were prepared.