4,7-dihydro-5-methyl-7-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine | 302559-34-8

• 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: 4,7-dihydro-5-methyl-7-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
• 英文别名: 7-(4-methoxyphenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
• CAS: 302559-34-8
• 化学式: C₁₃H₁₄N₄O
• 分子量: 242.28
• InChiKey: BVJUIDZVIIIWNO-UHFFFAOYSA-N

物化性质

• 熔点：
  215-216 °C(Solv: N,N-dimethylformamide (68-12-2); methanol (67-56-1))
• 沸点：
  369.5±52.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  52
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,7-dihydro-5-methyl-7-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine 在 肼 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 1.0h， 以65%的产率得到[(5S,7R)-7-(4-methoxyphenyl)-5-methyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]hydrazine
  参考文献：
  名称：

  Addition of hydrazine to 4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidines: Hydrazine derivatives of 4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine

  摘要：

  Abstract magnified image The 7‐aryl‐4,7‐dihydro[1,2,4]triazolo[1,5‐a]pyrimidines 1a, 1b, 1c can undergo addition of hydrazine to the enamine double bond leading to hydrazine derivatives of tetrahydrotriazolopyrimidines 2a, 2b, 2c; the process is usually accompanied by partial opening of pyrimidine ring leading to 3a, 3b. J. Heterocyclic Chem., (2009).

  DOI：

  10.1002/jhet.218
• 作为产物：
  描述：

  对甲氧苯乙烯基甲基酮 、 3-氨基-1,2,4-三氮唑 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.5h， 以58%的产率得到4,7-dihydro-5-methyl-7-(4-methoxyphenyl)[1,2,4]triazolo[1,5-a]pyrimidine
  参考文献：
  名称：

  Addition of hydrazine to 4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidines: Hydrazine derivatives of 4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine

  摘要：

  Abstract magnified image The 7‐aryl‐4,7‐dihydro[1,2,4]triazolo[1,5‐a]pyrimidines 1a, 1b, 1c can undergo addition of hydrazine to the enamine double bond leading to hydrazine derivatives of tetrahydrotriazolopyrimidines 2a, 2b, 2c; the process is usually accompanied by partial opening of pyrimidine ring leading to 3a, 3b. J. Heterocyclic Chem., (2009).

  DOI：

  10.1002/jhet.218

文献信息

• Addition of hydrazine to 4,7-dihydro[1,2,4]triazolo[1,5-<i>a</i>]pyrimidines: Hydrazine derivatives of 4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-<i>a</i>]pyrimidine
  作者：Sergey A. Komykhov、Konstantin S. Ostras、Kyryl M. Kobzar、Vladimir I. Musatov、Sergey M. Desenko

  DOI：10.1002/jhet.218

  日期：2009.11

  Abstract magnified image The 7‐aryl‐4,7‐dihydro[1,2,4]triazolo[1,5‐a]pyrimidines 1a, 1b, 1c can undergo addition of hydrazine to the enamine double bond leading to hydrazine derivatives of tetrahydrotriazolopyrimidines 2a, 2b, 2c; the process is usually accompanied by partial opening of pyrimidine ring leading to 3a, 3b. J. Heterocyclic Chem., (2009).