5,6-diphenyl-3-selenoxo-2,3-dihydropyridazine-4-carbonitrile compound with picric acid (1:1) | 1589566-44-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5,6-diphenyl-3-selenoxo-2,3-dihydropyridazine-4-carbonitrile compound with picric acid (1:1)
• CAS: 1589566-44-8
• 化学式: C₆H₃N₃O₇*C₁₇H₁₁N₃Se
• 分子量: 565.36
• InChiKey: RSUUTZLCPJRHCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.43
• 重原子数：
  37.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  202.12
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  4-cyano-5,6-diphenylpyridazine-3(2)selenone 、 苦味酸 以 甲醇 为溶剂， 反应 0.5h， 以92%的产率得到5,6-diphenyl-3-selenoxo-2,3-dihydropyridazine-4-carbonitrile compound with picric acid (1:1)
  参考文献：
  名称：

  Charge-transfer complex of 4-cyano-5,6-diphenylpyridazine-3(2)selenone with picric acid: Infrared, Raman, spectrophotometric, and photostability studies

  摘要：

  Change transfer complex of 4-cyano-5,6-diphenylpyridazine-3(2)selenone (CDS) was obtained by reacting of CDS with picric acid. The structure was confirmed by a number of spectral (IR, Raman, UV-Vis) methods. The activation parameters Delta E, Delta H, Delta S, and Delta G were obtained from the DTG diagrams using Coats-Redfern and Horowitz-Metzger methods. The photostability of 4-cyano-5,6-diphenylpyridazine-3(2)selenone (CDS) and its charge-transfer complex doped in polymethyl methacrylate(PMMA) matrix exposed to UV-Vis radiation was studied.

  DOI：

  10.1134/s1070363214020315