3-(4-methylpiperazin-1-yl)-4-phenylfurazan

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3-(4-methylpiperazin-1-yl)-4-phenylfurazan
• 英文别名: Furazan, 3-(4-methyl-1-piperazinyl)-4-phenyl-；3-(4-methylpiperazin-1-yl)-4-phenyl-1,2,5-oxadiazole
• 化学式: C₁₃H₁₆N₄O
• 分子量: 244.296
• InChiKey: TWJOQMZOAZGISJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  45.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-甲基哌嗪 、 4-苯基-1,2,5-恶二唑-3-胺 生成 3-(4-methylpiperazin-1-yl)-4-phenylfurazan
  参考文献：
  名称：

  Synthesis of secondary and tertiary aminofurazans

  摘要：

  Reactions of nitrofurazans with primary and secondary amines were studied. Conditions were found which allow the efficient replacement of the nitro group with these nucleophiles. Transformations of the amidoxime fragment, which is bound to the furazan ring and contains an amino substituent, enable one to substantially expand the spectrum of polyfunctional derivatives. The structures of the amines synthesized were studied by X-ray diffraction analysis.

  DOI：

  10.1023/b:rucb.0000035644.16331.f0

文献信息

• Synthesis of secondary and tertiary aminofurazans
  作者：A. B. Sheremetev、V. G. Andrianov、E. V. Mantseva、E. V. Shatunova、N. S. Aleksandrova、I. L. Yudin、D. E. Dmitriev、B. B. Averkiev、M. Yu. Antipin

  DOI：10.1023/b:rucb.0000035644.16331.f0

  日期：2004.3

  Reactions of nitrofurazans with primary and secondary amines were studied. Conditions were found which allow the efficient replacement of the nitro group with these nucleophiles. Transformations of the amidoxime fragment, which is bound to the furazan ring and contains an amino substituent, enable one to substantially expand the spectrum of polyfunctional derivatives. The structures of the amines synthesized were studied by X-ray diffraction analysis.