N-(2,6-dichloropyridin-4-yl)-N-methylpent-4-enamide | 1381868-99-0

• 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: N-(2,6-dichloropyridin-4-yl)-N-methylpent-4-enamide
• CAS: 1381868-99-0
• 化学式: C₁₁H₁₂Cl₂N₂O
• 分子量: 259.135
• InChiKey: ZJDBCLMHZJZEQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  33.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(2,6-dichloropyridin-4-yl)-N-methylpent-4-enamide 在 过氧化双月桂酰 、 过氧化苯甲酰 作用下， 以 水 、 乙酸乙酯 为溶剂， 生成 6,8-dichloro-1-methyl-5-(3-oxo-4-phenoxybutyl)-4,5-dihydro-1H-pyrido[4,3-b]azepin-2(3H)-one
  参考文献：
  名称：

  A flexible radical approach to 5-substituted 4,5-dihydro-3H-pyrido[4,3-b]azepin-2-ones. Some mechanistic observations on the radical cyclisation-aromatisation process

  摘要：

  Variously substituted novel dihydropyridoazepinones have been prepared by an intermolecular radical addition followed by a radical cyclisation on a pyridine ring. The latter process involved the use of a combination of two different peroxides, an experimental contrivance resulting from a careful product analysis and a better understanding of the cyclisation step. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.04.020
• 作为产物：
  描述：

  4-氨基-2,6-二氯吡啶 在 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 丙酮 为溶剂， 生成 N-(2,6-dichloropyridin-4-yl)-N-methylpent-4-enamide
  参考文献：
  名称：

  A flexible radical approach to 5-substituted 4,5-dihydro-3H-pyrido[4,3-b]azepin-2-ones. Some mechanistic observations on the radical cyclisation-aromatisation process

  摘要：

  Variously substituted novel dihydropyridoazepinones have been prepared by an intermolecular radical addition followed by a radical cyclisation on a pyridine ring. The latter process involved the use of a combination of two different peroxides, an experimental contrivance resulting from a careful product analysis and a better understanding of the cyclisation step. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.04.020