7,7-dimethyl-2-(4-pyridyl)-5,6,7,8-tetrahydro-6,8-epidiseleno-5-quinazolone

• 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: 7,7-dimethyl-2-(4-pyridyl)-5,6,7,8-tetrahydro-6,8-epidiseleno-5-quinazolone
• 英文别名: 12,12-Dimethyl-4-pyridin-4-yl-10,11-diselena-3,5-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one；12,12-dimethyl-4-pyridin-4-yl-10,11-diselena-3,5-diazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-one
• 化学式: C₁₅H₁₃N₃OSe₂
• 分子量: 409.208
• InChiKey: BAVSZLQNSIIYQM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.93
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  7,7-dimethyl-2-(4-pyridyl)-5,6,7,8-tetrahydro-5-quinazolone 在 硫酸 、 硒脲酸 作用下， 以 溶剂黄146 为溶剂， 以37%的产率得到7,7-dimethyl-2-(4-pyridyl)-5,6,7,8-tetrahydro-6,8-epidiseleno-5-quinazolone
  参考文献：
  名称：

  Unusual Formation of 2-Aryl-7,7-dimethyl-6,8-epidiseleno-5,6,7,8-tetrahydro-5-quinazolones

  摘要：

  The selenious acid oxidation of 2-aryl-7,7-dimethyl-5,6,7,8-tetrahydro-5-quinazolones 2a-c leads to the corresponding 2-aryl-7,7-dimethyl-6,8-epidiseleno-5,6, 7,8-tetrahydro-5-quinazolones 3a-c. This is the first observation of the formation of an intramolecular unsymmetrical diselenide by selenious acid oxidation and reports the first derivatives of the new ring system 2,3-diselenabicyclo[3.2.1]octane.

  DOI：

  10.1002/(sici)1099-0690(199907)1999:7<1585::aid-ejoc1585>3.0.co;2-f

文献信息

• Unusual Formation of 2-Aryl-7,7-dimethyl-6,8-epidiseleno-5,6,7,8-tetrahydro-5-quinazolones
  作者：Natalija Tonkikh、Helmut Duddeck、Marina Petrova、Ojars Neilands、Andris Strakovs

  DOI：10.1002/(sici)1099-0690(199907)1999:7<1585::aid-ejoc1585>3.0.co;2-f

  日期：1999.7

  The selenious acid oxidation of 2-aryl-7,7-dimethyl-5,6,7,8-tetrahydro-5-quinazolones 2a-c leads to the corresponding 2-aryl-7,7-dimethyl-6,8-epidiseleno-5,6, 7,8-tetrahydro-5-quinazolones 3a-c. This is the first observation of the formation of an intramolecular unsymmetrical diselenide by selenious acid oxidation and reports the first derivatives of the new ring system 2,3-diselenabicyclo[3.2.1]octane.