2,7-dimethyl-1,4,5,8-tetra-azaphenanthrene | 95260-59-6

• 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: 2,7-dimethyl-1,4,5,8-tetra-azaphenanthrene
• 英文别名: 3,8-Dimethylpyrazino[2,3-f]quinoxaline
• CAS: 95260-59-6
• 化学式: C₁₂H₁₀N₄
• 分子量: 210.238
• InChiKey: QBYLMHUIGVYTLP-UHFFFAOYSA-N

物化性质

• 沸点：
  375.3±37.0 °C(Predicted)
• 密度：
  1.288±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-methyl-5,6-diaminoquinoxaline 、 丙酮醛 以 乙醇 、 水 为溶剂， 反应 1.0h， 生成 2,7-dimethyl-1,4,5,8-tetra-azaphenanthrene 、 2,6-dimethyl-1,4,5,8-tetra-azaphenanthrene
  参考文献：
  名称：

  Fragmentation of 1,4,5,8-tetraazaphenanthrenes upon electron impact: A new example of structural integrity of gas phase heteroaromatic cations

  摘要：

  Abstract1,4,5,8‐Tetraazaphenanthrene and some derivatives have been studied by mass and ion kinetic energy spectrometries. Deuterium labelling experiments show an unexpected structural integrity of the gas phase molecular ions which eliminate H(D)CN, even near threshold energies (field‐free region reactions). The loss of N(1(8)) predominates largely over the loss of N(4(5)); the consecutive losses of H(D)CN are also highly specific. A similar specificty is observed for the chlorinated and methylated isomers. The atoms of the homocycle are not involved in the first steps of the fragmentation as indicated by the behaviour of 9‐chloro‐and 9‐methyl‐tetraazaphenanthrenes.

  DOI：

  10.1002/oms.1210201207

文献信息

• Nasielski, J.; Nasielski-Hinkens, R.; Heilporn, S., Bulletin des Societes Chimiques Belges, 1988, vol. 97, # 11-12, p. 983 - 992
  作者：Nasielski, J.、Nasielski-Hinkens, R.、Heilporn, S.、Rypens, C.、Declercq, J. P.

  DOI：——

  日期：——
• Fragmentation of 1,4,5,8-tetraazaphenanthrenes upon electron impact: A new example of structural integrity of gas phase heteroaromatic cations
  作者：Raymonde Nasielski-Hinkens、Michel Kaisin、Robert Flammang、André Maquestiau

  DOI：10.1002/oms.1210201207

  日期：1985.12

  Abstract1,4,5,8‐Tetraazaphenanthrene and some derivatives have been studied by mass and ion kinetic energy spectrometries. Deuterium labelling experiments show an unexpected structural integrity of the gas phase molecular ions which eliminate H(D)CN, even near threshold energies (field‐free region reactions). The loss of N(1(8)) predominates largely over the loss of N(4(5)); the consecutive losses of H(D)CN are also highly specific. A similar specificty is observed for the chlorinated and methylated isomers. The atoms of the homocycle are not involved in the first steps of the fragmentation as indicated by the behaviour of 9‐chloro‐and 9‐methyl‐tetraazaphenanthrenes.