4-amino-6-(4-methoxyphenyl)-2-hydrazinylpyrimidine-5-carbonitrile | 926043-76-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-amino-6-(4-methoxyphenyl)-2-hydrazinylpyrimidine-5-carbonitrile
• CAS: 926043-76-7
• 化学式: C₁₂H₁₂N₆O
• 分子量: 256.267
• InChiKey: PFSSLMDCKWDJIL-UHFFFAOYSA-N

物化性质

• 熔点：
  280-282 °C(Solv: 1,4-dioxane (123-91-1))
• 沸点：
  464.4±55.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.89
• 重原子数：
  19.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  122.87
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  4-amino-6-(4-methoxyphenyl)-2-hydrazinylpyrimidine-5-carbonitrile 、 乙酰丙酮 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以80%的产率得到4-amino-6-(4-methoxyphenyl)-2-[(3,5-dimethyl)-1H-pyrazol-1-yl]pyrimidine-5-carbonitrile
  参考文献：
  名称：

  Synthesis and Antimicrobial Activity of Thioxopyrimidines and Related Derivatives

  摘要：

  The interaction of thiourea with activated cyanoolefins under different reaction conditions were studied, in which a variety of thiopyrimidines (8, 9, 12, 18, 20, & 21) and related derivatives (10, 11, 14, 16, & 17) were obtained respectively. Also, the reactions of thiopyrimidines (8, 9) with different electrophilic and nucleophilic reagents were reported. IR, H-1 NMR, C-13 NMR and mass spectra for the newly synthesized compounds were studied. Most of the obtained compounds were screened against Gram-postive and Gram-negative bacteria and fungi, for which some of these derivatives gave promising results.

  DOI：

  10.1080/10426500500272087
• 作为产物：
  描述：

  4-amino-2-mercapto-6-(4-methoxyphenyl)pyrimidine-5-carbonitrile 在 一水合肼 作用下， 以 正丁醇 为溶剂， 反应 3.0h， 以81%的产率得到4-amino-6-(4-methoxyphenyl)-2-hydrazinylpyrimidine-5-carbonitrile
  参考文献：
  名称：

  Synthesis and Antimicrobial Activity of Thioxopyrimidines and Related Derivatives

  摘要：

  The interaction of thiourea with activated cyanoolefins under different reaction conditions were studied, in which a variety of thiopyrimidines (8, 9, 12, 18, 20, & 21) and related derivatives (10, 11, 14, 16, & 17) were obtained respectively. Also, the reactions of thiopyrimidines (8, 9) with different electrophilic and nucleophilic reagents were reported. IR, H-1 NMR, C-13 NMR and mass spectra for the newly synthesized compounds were studied. Most of the obtained compounds were screened against Gram-postive and Gram-negative bacteria and fungi, for which some of these derivatives gave promising results.

  DOI：

  10.1080/10426500500272087