6-ethoxy-5-nitroquinoxaline | 745048-80-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 6-ethoxy-5-nitroquinoxaline
• CAS: 745048-80-0
• 化学式: C₁₀H₉N₃O₃
• 分子量: 219.2
• InChiKey: TWNFYMBEGXCVPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  80.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  6-ethoxy-5-nitroquinoxaline 在 硫酸 作用下， 以 乙醇 为溶剂， 以46%的产率得到6-ethoxy-5-hydroxyquinoxaline
  参考文献：
  名称：

  Phototransformations of 6-X-5-Nitroquinoxalines

  摘要：

  Photophysical properties and photochemical activity of 6-X-5-nitroquinoxalines with electrondonor substituents (X = H, CH3, Cl, OC2H5, NH2) ortho to the nitro group were studied. The quantum yield of the formation of 5-hydroxyquinoxaline from the corresponding nitro derivative depends on the nature of the substituent and irradiation conditions. Phototransformations can go through nitro-nitrite rearrangement with the participation of two alternative T(pipi*) levels, depending on the size and electronic effects of the substituent. The latter factor is largely determined by the population on excitation of different charge-transfer states involving the nitro group.

  DOI：

  10.1023/b:rugc.0000030402.66220.55
• 作为产物：
  描述：

  非那西丁 在 硫酸 、 氢气 、 硝酸 、 镍 、 溶剂黄146 、 potassium nitrate 作用下， 以 水 、 异丙醇 为溶剂， 反应 1.0h， 生成 6-ethoxy-5-nitroquinoxaline
  参考文献：
  名称：

  Phototransformations of 6-X-5-Nitroquinoxalines

  摘要：

  Photophysical properties and photochemical activity of 6-X-5-nitroquinoxalines with electrondonor substituents (X = H, CH3, Cl, OC2H5, NH2) ortho to the nitro group were studied. The quantum yield of the formation of 5-hydroxyquinoxaline from the corresponding nitro derivative depends on the nature of the substituent and irradiation conditions. Phototransformations can go through nitro-nitrite rearrangement with the participation of two alternative T(pipi*) levels, depending on the size and electronic effects of the substituent. The latter factor is largely determined by the population on excitation of different charge-transfer states involving the nitro group.

  DOI：

  10.1023/b:rugc.0000030402.66220.55

文献信息

• Phototransformations of 6-X-5-Nitroquinoxalines
  作者：N. I. Rtishchev、A. V. Selitrennikov

  DOI：10.1023/b:rugc.0000030402.66220.55

  日期：2004.3

  Photophysical properties and photochemical activity of 6-X-5-nitroquinoxalines with electrondonor substituents (X = H, CH3, Cl, OC2H5, NH2) ortho to the nitro group were studied. The quantum yield of the formation of 5-hydroxyquinoxaline from the corresponding nitro derivative depends on the nature of the substituent and irradiation conditions. Phototransformations can go through nitro-nitrite rearrangement with the participation of two alternative T(pipi*) levels, depending on the size and electronic effects of the substituent. The latter factor is largely determined by the population on excitation of different charge-transfer states involving the nitro group.