2,7-dimethyl-s-triazolo<1,5-c>pyrimidin-5(6H)-one | 72411-36-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三唑并嘧啶类
• 英文名称: 2,7-dimethyl-s-triazolo<1,5-c>pyrimidin-5(6H)-one
• 英文别名: 2,7-Dimethyl-s-triazolo<1,5-c>pyrimidin-5(6H)-on；2,7-dimethyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one；2,7-Dimethyl(1,2,4)triazolo(1,5-c)pyrimidin-5(6H)-one；2,7-dimethyl-6H-[1,2,4]triazolo[1,5-c]pyrimidin-5-one
• CAS: 72411-36-0
• 化学式: C₇H₈N₄O
• 分子量: 164.167
• InChiKey: BLKLKVONQDFOTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  59.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,7-dimethyl-s-triazolo<1,5-c>pyrimidin-5(6H)-one 在 盐酸羟胺 、 氨 、 N,N-二乙基苯胺 、 三氯氧磷 作用下， 以 甲醇 为溶剂， 反应 75.58h， 生成 N-acetoxy-N'-(2,7-dimethyl-s-triazolo<1,5-c>pyrimidin-5-yl)formamidine
  参考文献：
  名称：

  Brown, Desmond J.; Shinozuka, Kazuo, Australian Journal of Chemistry, 1980, vol. 33, # 5, p. 1147 - 1152

  摘要：

  DOI：
• 作为产物：
  描述：

  4-肼基-6-甲基-2(1H)-嘧啶酮 在 硝酸 作用下， 以 甲醇 、 乙醇 、 三氟乙酸 为溶剂， 反应 1.0h， 生成 2,7-dimethyl-s-triazolo<1,5-c>pyrimidin-5(6H)-one
  参考文献：
  名称：

  The First Reliable, General Synthesis of the 5-Oxo Derivatives of 5,6-Dihydro-1,2,4-triazolo[4,3-c]pyrimidine and the Rates of Isomerization of the [4,3-c] Compounds into Their [1,5-c] Isomers

  摘要：

  This paper describes a reliable synthesis of the 5-oxo derivatives (8) of 5,6-dihydro-1,2,4-triazolo[4,3-c]pyrimidine, by the reaction of 2-oxo-1,2-dihydropyrimidin-4-ylhydrazines (7) with the appropriate triethyl orthoesters in trifluoroacetic acid below 30 degreesC or by the oxidative cyclization of their aldehyde hydrazones (10) with 70% nitric acid in trifluoroacetic acid below 40 degreesC, and the rates of isomerization of the [4,3-c] compounds (8) into the [1,5-c] isomers (9).

  DOI：

  10.3987/com-02-9450

文献信息

• BROWN D. J.; NAGAMATSU T., AUSTRAL. J. CHEM., 1979, 32, NO 7, 1585-1593
  作者：BROWN D. J.、 NAGAMATSU T.

  DOI：——

  日期：——
• BROWN D. J.; SHINOZUKA KAZUO, AUSTRAL. J. CHEM., 1980, 33, NO 5, 1147-1152
  作者：BROWN D. J.、 SHINOZUKA KAZUO

  DOI：——

  日期：——
• The First Reliable, General Synthesis of the 5-Oxo Derivatives of 5,6-Dihydro-1,2,4-triazolo[4,3-c]pyrimidine and the Rates of Isomerization of the [4,3-c] Compounds into Their [1,5-c] Isomers
  作者：Tomohisa Nagamatsu、Takayuki Fujita

  DOI：10.3987/com-02-9450

  日期：——

  This paper describes a reliable synthesis of the 5-oxo derivatives (8) of 5,6-dihydro-1,2,4-triazolo[4,3-c]pyrimidine, by the reaction of 2-oxo-1,2-dihydropyrimidin-4-ylhydrazines (7) with the appropriate triethyl orthoesters in trifluoroacetic acid below 30 degreesC or by the oxidative cyclization of their aldehyde hydrazones (10) with 70% nitric acid in trifluoroacetic acid below 40 degreesC, and the rates of isomerization of the [4,3-c] compounds (8) into the [1,5-c] isomers (9).
• Brown, Desmond J.; Shinozuka, Kazuo, Australian Journal of Chemistry, 1980, vol. 33, # 5, p. 1147 - 1152
  作者：Brown, Desmond J.、Shinozuka, Kazuo

  DOI：——

  日期：——