4-Oxido-3,5-dipyridin-4-yl-1,2,4-oxadiazol-4-ium | 111750-62-0

• 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: 4-Oxido-3,5-dipyridin-4-yl-1,2,4-oxadiazol-4-ium
• CAS: 111750-62-0
• 化学式: C₁₂H₈N₄O₂
• 分子量: 240.221
• InChiKey: IPEHFOVBKVITBF-UHFFFAOYSA-N

物化性质

• 熔点：
  137-138 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• 沸点：
  500.2±60.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  77.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-Oxido-3,5-dipyridin-4-yl-1,2,4-oxadiazol-4-ium 在 三甲氧基磷 作用下， 以 苯 为溶剂， 反应 2.0h， 生成 4-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)pyridine
  参考文献：
  名称：

  HNO made-easy from photochemical cycloreversion of novel 3,5-heterocyclic disubstituted 1,2,4-oxadiazole-4-oxides

  摘要：

  A variety of symmetric and asymmetric 3,5-heterocyclic disubstituted 1,2,4-oxadiazole-4-oxides have been prepared through cycloaddition of aromatic and heteroaromatic nitrile oxides to heteroaromatic amidoximes. A library of novel, fully characterized, 1,2,4-oxadiazole-4-oxides has been obtained as valuable precursors, upon photochemical activation, of new nitrosocarbonyl intermediates. The photochemical cycloreversion of the 1,2,4-oxadiazole-4-oxides was investigated from the computational point of view and the hydrolysis of the generated nitrosocarbonyl intermediates in water constituted the way for an easy-made HNO generation process because of the photochemical behavior of the parent compounds. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.06.067
• 作为产物：
  描述：

  4-吡啶基偕胺肟 、 N-hydroxyisonicotinimidoyl chloride 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 生成 4-Oxido-3,5-dipyridin-4-yl-1,2,4-oxadiazol-4-ium
  参考文献：
  名称：

  HNO made-easy from photochemical cycloreversion of novel 3,5-heterocyclic disubstituted 1,2,4-oxadiazole-4-oxides

  摘要：

  A variety of symmetric and asymmetric 3,5-heterocyclic disubstituted 1,2,4-oxadiazole-4-oxides have been prepared through cycloaddition of aromatic and heteroaromatic nitrile oxides to heteroaromatic amidoximes. A library of novel, fully characterized, 1,2,4-oxadiazole-4-oxides has been obtained as valuable precursors, upon photochemical activation, of new nitrosocarbonyl intermediates. The photochemical cycloreversion of the 1,2,4-oxadiazole-4-oxides was investigated from the computational point of view and the hydrolysis of the generated nitrosocarbonyl intermediates in water constituted the way for an easy-made HNO generation process because of the photochemical behavior of the parent compounds. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.06.067

文献信息

• SUMENGEN D., CHIM. ACTA TURC., 13,(1985) N 3, 393-402
  作者：SUMENGEN D.

  DOI：——

  日期：——
• HNO made-easy from photochemical cycloreversion of novel 3,5-heterocyclic disubstituted 1,2,4-oxadiazole-4-oxides
  作者：Misal Giuseppe Memeo、Daniele Dondi、Barbara Mannucci、Federica Corana、Paolo Quadrelli

  DOI：10.1016/j.tet.2013.06.067

  日期：2013.9

  A variety of symmetric and asymmetric 3,5-heterocyclic disubstituted 1,2,4-oxadiazole-4-oxides have been prepared through cycloaddition of aromatic and heteroaromatic nitrile oxides to heteroaromatic amidoximes. A library of novel, fully characterized, 1,2,4-oxadiazole-4-oxides has been obtained as valuable precursors, upon photochemical activation, of new nitrosocarbonyl intermediates. The photochemical cycloreversion of the 1,2,4-oxadiazole-4-oxides was investigated from the computational point of view and the hydrolysis of the generated nitrosocarbonyl intermediates in water constituted the way for an easy-made HNO generation process because of the photochemical behavior of the parent compounds. (C) 2013 Elsevier Ltd. All rights reserved.