1,3,6,8-tetramethyl-1H,3H,6H,8H-pyrimido[4,5-g]pteridine-2,4,7,9-tetraone | 7464-89-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: 1,3,6,8-tetramethyl-1H,3H,6H,8H-pyrimido[4,5-g]pteridine-2,4,7,9-tetraone
• 英文别名: 1,3,6,8-tetramethyl-1,6-dihydro-pyrimido[4,5-g]pteridine-2,4,7,9-tetraone；1,3,6,8-Tetramethyl-1,6-dihydro-pyrimido[4,5-g]pteridin-2,4,7,9-tetraon；1,3,6,8-Tetramethylpyrimido[4,5-g]pteridine-2,4,7,9-tetrone
• CAS: 7464-89-3
• 化学式: C₁₂H₁₂N₆O₄
• 分子量: 304.265
• InChiKey: VTERGIPPMDSMSR-UHFFFAOYSA-N

物化性质

• 沸点：
  553.2±60.0 °C(Predicted)
• 密度：
  1.523±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,3,6,8-tetramethyl-1H,3H,6H,8H-pyrimido[4,5-g]pteridine-2,4,7,9-tetraone 在 sodium hydroxide 作用下， 生成 3,6-bis-methylamino-pyrazine-2,5-dicarboxylic acid bis-methylamide
  参考文献：
  名称：

  Pyrimidopteridines by Oxidative Self-condensation of Aminopyrimidines^1,2

  摘要：

  DOI：

  10.1021/ja01613a066
• 作为产物：
  描述：

  1,3-dimethyl-6-hydroxylaminouracil 在 吡啶 、 溴 、 溶剂黄146 作用下， 生成 1,3,6,8-tetramethyl-1H,3H,6H,8H-pyrimido[4,5-g]pteridine-2,4,7,9-tetraone
  参考文献：
  名称：

  Pfleiderer et al., Justus Liebigs Annalen der Chemie, 1958, vol. 615, p. 57

  摘要：

  DOI：

文献信息

• A High Chemical Reactivity of 5-Azidouracils and Its Synthetic Application: Novel Synthesis of 8-Substituted 1,3-Dimethylxanthine Derivatives
  作者：Kosaku Hirota、Magoichi Sako、Hironao Sajiki

  DOI：10.3987/com-97-s68

  日期：——

  A novel method for the preparation of 8-substituted 1,3-dimethylxanthine derivatives (7 or 8) is described: treatment of 6-alkylamino-5-bromo-1,3-dimethyluracils (6a-e), easily prepared by bromination of the corresponding 6-alkylamino-1, 3-dimethyluracils (5), with sodium azide in DMF at ambient temperature allowed the direct formation of the 8-substituted 1,3-dimethylxanthines (7) proceeding via a transient formation of the corresponding 5-azido-1 ,3-dimethyluracils. The 5-bromo-1,3-dimethyluracils (6f, g) possessing an ct-branched alkylamino group at the 6-position similarly react with sodium azide to afford 8,8-disubstituted 1,3-dimethyl-8H-xanthines (8,8-disubstituted 1,3-dimethyl-3,g-dihydropurine-2,6-diones)(8).
• Reactions of 5,6-diamino-1,3-dimethyluracil with halogen derivatives of chalcones
  作者：V. D. Orlov、N. N. Kolos、M. Tu�ni、E. Yu. Yur'eva、S. M. Ivkov

  DOI：10.1007/bf00474494

  日期：1992.7
• 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.
• Oxidation of 5,6-Diamino-1,3-dimethyluracil by Metal Ions: Structure of 1,3,6,8-Tetramethyl-2,4,7,9(1H,3H,6H,8H)-pyrimido[4,5-g]pteridinetetrone
  作者：A. Romerosa、E. Colacio、J. Suárez-Varela、J. C. Avila-Rosón、M. A. Hidalgo、J. Romero-Garzón

  DOI：10.1107/s0108270194009595

  日期：1995.5.15

  The structure of the title compound, C12H12N6O4, consists of independent tricyclic molecules with a central pyrazine ring and terminal pyrimidine rings. The molecular centroid coincides with a crystallographic inversion centre, leading to a trans disposition of the terminal pyrimidine rings. The angle between the central pyrazine ring and the pyrimidine rings is 4.2(3)degrees, indicating that the molecule is almost planar.
• Ciba Found.Symp.Biol.Pteridines, 1954 S.193,200
  作者：Ciba Found.Symp.Biol.Pteridines

  DOI：——

  日期：——