1,3,8-trimethyl-6-phenylpteridine-2,4,7-trione | 109853-23-8

• 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: 1,3,8-trimethyl-6-phenylpteridine-2,4,7-trione
• 英文别名: 1,3,8-trimethyl-6-phenylpteridin-2,4,7-trione；6-phenyl-1,3,8-trimethylpteridin-2,4,7-trione
• CAS: 109853-23-8
• 化学式: C₁₅H₁₄N₄O₃
• 分子量: 298.301
• InChiKey: WQEWFYZALILXHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  73.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,3,8-trimethyl-6-phenylpteridine-2,4,7-trione 在 亚甲兰 氧气 作用下， 以 甲醇 为溶剂， 反应 2.0h， 生成 1,3-dimethyl-5-benzoylamino-5-methoxybarbituric acid
  参考文献：
  名称：

  Photooxygenation of pteridin-2,4,7-triones

  摘要：

  The pteridin-2,4,7-trione 6,8'-endoperoxides are synthesized and their thermal reactions are examined. The pteridin-2,4,7-triones (1) reacted smoothly with singlet oxygen to yield the 6,8'-endopoothly with singlet oxygen to yield the pteridin-2,4,7-trione 6,8'-endoperoxides (2-5). On warming the endoperoxide (2a) reverted to the starting pteridin-2,4,7-trione (1a) with liberation of singlet oxygen, which was confirmed by trapping experiment using typical singlet oxygen acceptors (7-12).

  DOI：

  10.1016/s0040-4020(01)96029-6
• 作为产物：
  描述：

  6-phenyl-1,3,8-trimethylpteridin-2,4,7-trione 6,8'-endoperoxide 以 二氯甲烷 为溶剂， 生成 1,3,8-trimethyl-6-phenylpteridine-2,4,7-trione
  参考文献：
  名称：

  New and stable endoperoxide from the pteridin-2,4,7-trione and singlet oxygen

  摘要：

  DOI：

  10.1016/s0040-4039(00)85287-9

文献信息

• NISHIO TAKEHIKO; NISHIYAMA TADASHI; OMOTE YOSHIMORI, TETRAHEDRON LETT., 27,(1986) N 46, 5637-5640
  作者：NISHIO TAKEHIKO、 NISHIYAMA TADASHI、 OMOTE YOSHIMORI

  DOI：——

  日期：——
• New and stable endoperoxide from the pteridin-2,4,7-trione and singlet oxygen
  作者：Takehiko Nishio、Tadashi Nishiyama、Yoshimori Omote

  DOI：10.1016/s0040-4039(00)85287-9

  日期：1986.1
• Photooxygenation of pteridin-2,4,7-triones
  作者：Takehiko Nishio、Tadashi Nishiyama、Yoshimori Ornote

  DOI：10.1016/s0040-4020(01)96029-6

  日期：1991.5

  The pteridin-2,4,7-trione 6,8'-endoperoxides are synthesized and their thermal reactions are examined. The pteridin-2,4,7-triones (1) reacted smoothly with singlet oxygen to yield the 6,8'-endopoothly with singlet oxygen to yield the pteridin-2,4,7-trione 6,8'-endoperoxides (2-5). On warming the endoperoxide (2a) reverted to the starting pteridin-2,4,7-trione (1a) with liberation of singlet oxygen, which was confirmed by trapping experiment using typical singlet oxygen acceptors (7-12).