3-ethyl-9-methyl-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine | 1146953-51-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-ethyl-9-methyl-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
• 英文别名: 3-Ethyl-9-methyl-7-phenyl-7h-pyrazolo[4,3-e][1,2,4]triazolo-[4,3-c]pyrimidine；5-ethyl-12-methyl-10-phenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
• CAS: 1146953-51-6
• 化学式: C₁₅H₁₄N₆
• 分子量: 278.316
• InChiKey: BZDMPFDLHLFOKO-UHFFFAOYSA-N

物化性质

• 熔点：
  228-230 °C(Solvent: Ethanol)
• 密度：
  1.40±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  60.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-hydrazino-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine 、 原丙酸三乙酯 以 乙醇 为溶剂， 反应 6.0h， 以72%的产率得到3-ethyl-9-methyl-7-phenyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
  参考文献：
  名称：

  Synthesis of pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidines

  摘要：

  Starting from 1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ones, a synthesis pathway to the tricyclic pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidines is described. Reaction of 1,5-dihydro-4H-pyrazolo[3,4-d] pyrimidin-4-ones with phosphoryl chloride afforded the corresponding 4-chloro-1H-pyrazolo[3,4-d]pyrimidines. Treatment of these compounds with hydrazine hydrate at reflux temperature gave the hydrazino derivatives, which were subsequently cyclized to the titled compounds on heating with orthoesters in ethanol.

  DOI：

  10.1007/s00706-008-0939-8

文献信息

• Davoodnia, Asian Journal of Chemistry, 2010, vol. 22, # 2, p. 1595 - 1598
  作者：Davoodnia

  DOI：——

  日期：——