6-tert-butylquinoxaline-2,3-dicarbonitrile | 1174667-40-3

• 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-tert-butylquinoxaline-2,3-dicarbonitrile
• 英文别名: 6-t-Butyl-2,3-quinoxalinecarbonitrile
• CAS: 1174667-40-3
• 化学式: C₁₄H₁₂N₄
• 分子量: 236.276
• InChiKey: LCSLZGVXGGWPRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  73.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-tert-butylquinoxaline-2,3-dicarbonitrile 在 ammonium molybdate 、 cobalt(II) acetate 作用下， 反应 0.5h， 以57%的产率得到
  参考文献：
  名称：

  Synthesis and spectral parameters of tetra(6-tert-butyl-2,3-quinoxalino)porphyrazine and its metal complexes

  摘要：

  Tetra(6-tert-butyl-2,3-quinoxalino)porphyrazine and its complexes with bivalent metals were synthesized for the first time by template tetramerization of 6-tert-butylquinoxaline-2,3-dicarbonitrile. The obtained macrocyclic compounds are soluble in hydrophobic solvents. Their electronic absorption spectra in organic solvents and the spectra of the corresponding protonated forms in sulfuric acid were studied.

  DOI：

  10.1134/s1070363208070293
• 作为产物：
  描述：

  乙二亚胺酰二氰 、 4-叔丁基苯-1,2-二胺 在 三氟乙酸 作用下， 以52%的产率得到6-tert-butylquinoxaline-2,3-dicarbonitrile
  参考文献：
  名称：

  Synthesis and spectral parameters of tetra(6-tert-butyl-2,3-quinoxalino)porphyrazine and its metal complexes

  摘要：

  Tetra(6-tert-butyl-2,3-quinoxalino)porphyrazine and its complexes with bivalent metals were synthesized for the first time by template tetramerization of 6-tert-butylquinoxaline-2,3-dicarbonitrile. The obtained macrocyclic compounds are soluble in hydrophobic solvents. Their electronic absorption spectra in organic solvents and the spectra of the corresponding protonated forms in sulfuric acid were studied.

  DOI：

  10.1134/s1070363208070293