1,1',3,3',5,5'-hexamethyl[5,5']bipyrimidinyl-2,4,6,2',4',6'-hexaone | 56497-20-2

• 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: 1,1',3,3',5,5'-hexamethyl[5,5']bipyrimidinyl-2,4,6,2',4',6'-hexaone
• 英文别名: 1,1',3,3',5,5'-hexamethylhydurilic acid；1,3,5,1',3',5'-hexamethyl-[5,5']bipyrimidinyl-2,4,6,2',4',6'-hexaone；1,3,5,1',3',5'-Hexamethyl-5,5'-bibarbituryl；1,3,5-Trimethyl-5-(1,3,5-trimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1,3-diazinane-2,4,6-trione
• CAS: 56497-20-2
• 化学式: C₁₄H₁₈N₄O₆
• 分子量: 338.32
• InChiKey: MVOMURNVIWJYSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  115
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1,3,1',3'-tetramethylhydurilic acid 、 碘甲烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 80.0 ℃ 、150.0 kPa 条件下， 反应 0.5h， 以77%的产率得到1,1',3,3',5,5'-hexamethyl[5,5']bipyrimidinyl-2,4,6,2',4',6'-hexaone
  参考文献：
  名称：

  5,5’-Bipyridyl-2,4,6,2’,4’,6’-hexaone Derivatives (Hydurilic Acids): Syntheses, Mechanism of C-C-Bond Formation and Properties of the Dimeric Barbituric Acid Derivatives

  摘要：

  A series of hydurilic acid derivatives (5,5'-bipyrimidinyl-2,4,6,2',4',6'-hexaones) including several new derivatives was synthesized from 5,6-diaminouracils. Mechanisms for their formation are proposed and discussed. Furthermore, a new method for the preparation of pyrimidine-2,4,5,6-tetraone-5-oxime derivatives (violuric acids) was found starting from 5-amino-6-nitrosouracils.

  DOI：

  10.3987/com-08-s(d)37

文献信息

• 5,5’-Bipyridyl-2,4,6,2’,4’,6’-hexaone Derivatives (Hydurilic Acids): Syntheses, Mechanism of C-C-Bond Formation and Properties of the Dimeric Barbituric Acid Derivatives
  作者：Christa E. Müller、Carolin Roegler、Jörg Hockemeyer

  DOI：10.3987/com-08-s(d)37

  日期：——

  A series of hydurilic acid derivatives (5,5'-bipyrimidinyl-2,4,6,2',4',6'-hexaones) including several new derivatives was synthesized from 5,6-diaminouracils. Mechanisms for their formation are proposed and discussed. Furthermore, a new method for the preparation of pyrimidine-2,4,5,6-tetraone-5-oxime derivatives (violuric acids) was found starting from 5-amino-6-nitrosouracils.