5,7-dimethyl-2-(1-p-tolyl-vinyl)-2,7-dihydro-pyrazolo[3,4-d]pyrimidine-4,6-dione | 62925-62-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 5,7-dimethyl-2-(1-p-tolyl-vinyl)-2,7-dihydro-pyrazolo[3,4-d]pyrimidine-4,6-dione
• 英文别名: 5,7-Dimethyl-2-[1-(4-methylphenyl)ethenyl]pyrazolo[3,4-d]pyrimidine-4,6-dione
• CAS: 62925-62-6
• 化学式: C₁₆H₁₆N₄O₂
• 分子量: 296.329
• InChiKey: UJNFHKCRJRMNQP-UHFFFAOYSA-N

物化性质

• 熔点：
  200-201 °C(Solv: ethanol (64-17-5))
• 沸点：
  425.5±55.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  58.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5,7-dimethyl-2-(1-p-tolyl-vinyl)-2,7-dihydro-pyrazolo[3,4-d]pyrimidine-4,6-dione 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以88%的产率得到5,7-dimethylpyrazolo<3,4-d>pyrimidine-4,6(5H,7H)-dione
  参考文献：
  名称：

  DMF acetals as alkylating and cyclizing agents: A facile route to substituted pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-diones

  摘要：

  Several 7-methyl-5-alkyl-2-vinylpyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-diones were prepared. The successful cyclization and alkylation of 6-(alpha-methylbenzylidenehydrazino)-1-methyluracils 2a-d using dimethylformamide acetals at high temperature provided 6a-d, 7a-d, and 8a-d. Treatment of 6a-d and 7a-d with acid afforded 7-methyl-5-alkylpyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-diones 9a, b; under the same conditions, 3a-d reacted to 7-methylpyrazolo[3,4-d]pyrimidine-4,6(5H)-dione (4) in good yield.

  DOI：

  10.1007/bf00806857
• 作为产物：
  描述：

  6-hydrazinyl-1-methyluracil 以 乙醇 为溶剂， 反应 12.5h， 生成 5,7-dimethyl-2-(1-p-tolyl-vinyl)-2,7-dihydro-pyrazolo[3,4-d]pyrimidine-4,6-dione
  参考文献：
  名称：

  DMF acetals as alkylating and cyclizing agents: A facile route to substituted pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-diones

  摘要：

  Several 7-methyl-5-alkyl-2-vinylpyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-diones were prepared. The successful cyclization and alkylation of 6-(alpha-methylbenzylidenehydrazino)-1-methyluracils 2a-d using dimethylformamide acetals at high temperature provided 6a-d, 7a-d, and 8a-d. Treatment of 6a-d and 7a-d with acid afforded 7-methyl-5-alkylpyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-diones 9a, b; under the same conditions, 3a-d reacted to 7-methylpyrazolo[3,4-d]pyrimidine-4,6(5H)-dione (4) in good yield.

  DOI：

  10.1007/bf00806857

文献信息

• SENGA K.; KANAMORI Y.; KANAZAWA H.; NISHIGAKI S.; YONEDA F., SYNTHESIS <SYNT-BF>, 1977, NO 3, 176-177
  作者：SENGA K.、 KANAMORI Y.、 KANAZAWA H.、 NISHIGAKI S.、 YONEDA F.

  DOI：——

  日期：——
• DMF acetals as alkylating and cyclizing agents: A facile route to substituted pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-diones
  作者：S. Youssif

  DOI：10.1007/bf00806857

  日期：1997.5

  Several 7-methyl-5-alkyl-2-vinylpyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-diones were prepared. The successful cyclization and alkylation of 6-(alpha-methylbenzylidenehydrazino)-1-methyluracils 2a-d using dimethylformamide acetals at high temperature provided 6a-d, 7a-d, and 8a-d. Treatment of 6a-d and 7a-d with acid afforded 7-methyl-5-alkylpyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-diones 9a, b; under the same conditions, 3a-d reacted to 7-methylpyrazolo[3,4-d]pyrimidine-4,6(5H)-dione (4) in good yield.