4-nitro-2,6-diacetylpyridine | 1250445-91-0

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 4-nitro-2,6-diacetylpyridine
• 英文别名: 4-Nitro-2,6-diacetylpyridine；1-(6-acetyl-4-nitropyridin-2-yl)ethanone
• CAS: 1250445-91-0
• 化学式: C₉H₈N₂O₄
• 分子量: 208.174
• InChiKey: HIMAFOPMSTXSBB-UHFFFAOYSA-N

物化性质

• 沸点：
  294.2±40.0 °C(Predicted)
• 密度：
  1.321±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  92.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-nitro-2,6-diacetylpyridine 、 2,4,6-三甲基苯胺 在 甲酸 作用下， 以82%的产率得到4-nitro-2,6-diacetylpyridine bis(2,4,6-trimethylphenylimine)
  参考文献：
  名称：

  Novel Late Transition Metal Catalysts Based on Iron: Synthesis, Structures and Ethylene Polymerization

  摘要：

  In this article we reported synthesis, characterization and ethylene polymerization behavior of two new late transition metal 2,6-bis(imino)pyridine catalysts based on iron(II) possessing different substituents of NO(2) (catalyst b) and OMe (catalyst c) at the para position of the pyridine ring. Theoretical study exhibited more positive charge on the central metal of the catalyst b, leading to higher activity offset by lower thermal stability and life time.

  DOI：

  10.1007/s10562-010-0433-x
• 作为产物：
  描述：

  2,6-二甲基吡啶 N-氧化物 在 potassium permanganate 、 氯化亚砜 、 硫酸 、 硝酸 、 三乙胺 、 三苯基膦 作用下， 以 双(2-甲氧基乙基)胺 、 水 、 三乙二醇 为溶剂， 反应 8.0h， 生成 4-nitro-2,6-diacetylpyridine
  参考文献：
  名称：

  Novel Late Transition Metal Catalysts Based on Iron: Synthesis, Structures and Ethylene Polymerization

  摘要：

  In this article we reported synthesis, characterization and ethylene polymerization behavior of two new late transition metal 2,6-bis(imino)pyridine catalysts based on iron(II) possessing different substituents of NO(2) (catalyst b) and OMe (catalyst c) at the para position of the pyridine ring. Theoretical study exhibited more positive charge on the central metal of the catalyst b, leading to higher activity offset by lower thermal stability and life time.

  DOI：

  10.1007/s10562-010-0433-x

文献信息

• Novel Late Transition Metal Catalysts Based on Iron: Synthesis, Structures and Ethylene Polymerization
  作者：Gholam Hossein Zohuri、Seyed Mohammad Seyedi、Reza Sandaroos、Saman Damavandi、Ali Mohammadi

  DOI：10.1007/s10562-010-0433-x

  日期：2010.12

  In this article we reported synthesis, characterization and ethylene polymerization behavior of two new late transition metal 2,6-bis(imino)pyridine catalysts based on iron(II) possessing different substituents of NO(2) (catalyst b) and OMe (catalyst c) at the para position of the pyridine ring. Theoretical study exhibited more positive charge on the central metal of the catalyst b, leading to higher activity offset by lower thermal stability and life time.