(6-tert-butyl)-3-hydrazino-1,2,4-triazin-5(2H)-one | 548462-33-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: (6-tert-butyl)-3-hydrazino-1,2,4-triazin-5(2H)-one
• 英文别名: 6-tert-butyl-3-hydrazinyl-1,2,4-triazin-5(4H)-one；6-tert-butyl-3-hydrazinyl-4H-1,2,4-triazin-5-one
• CAS: 548462-33-5
• 化学式: C₇H₁₃N₅O
• mdl: MFCD12401729
• 分子量: 183.213
• InChiKey: GFGZLUYEAKGXAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  91.9
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (6-tert-butyl)-3-hydrazino-1,2,4-triazin-5(2H)-one 在 三氯氧磷 作用下， 以 xylene 为溶剂， 反应 13.0h， 生成 3-(tert-butyl)-6-phenyl-1,2,4-triazolo[4,3-b]-1,2,4-triazin-2(1H)-one
  参考文献：
  名称：

  摘要：

  Boiling of ethyl cyanoacetate with 6-tert-butyl-3-hydrazino-1,2,4-triazin-5(2H)-one in alkaline medium yielded 6-tert-butyl-3-(5-hydroxy-3-oxo-2,3-dihydro-1H-pyrazol-1-yl)-1,2,4-triazin-5(2H)-one. Acylation of 6-tert-butyl-3-hydrazino-1,2,4-triazin-5(2H)-one with benzoyl chloride furnished 3-benzoylhydrazido- 1,2,4-triazine that cyclized when treated with POCl3 providing a derivative of [1,2,4]triazolo[4,3-b][1,2,4]triazine. Boiling of 6-tert-butyl-3-hydrazino-1,2,4-triazin-5(2H)-one in glacial acetic acid gave rise to diacetylated derivative whereas the boiling with acetic anhydride in an inert solvent afforded monoacetylated product.

  DOI：

  10.1023/a:1022582606145

文献信息

• Activity of 3-hydrazino-1,2,4-triazines in reaction with N,N-dimethylcarbamoyl bromide
  作者：L. M. Mironovich、M. A. Ivanov

  DOI：10.1134/s1070428010110254

  日期：2010.11
• ——
  作者：L. M. Mironovich、M. A. Ivanov

  DOI：10.1023/a:1026377507432

  日期：——

  Reaction of 6-tert-butyl-3-hydrazino-2,5-dihydro-1,2,4-triazin-5-one with excess benzoyl chloride or formic acid afforded 6-tert-butyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7(8H)-ones.
• ——
  作者：L. M. Mironovich

  DOI：10.1023/a:1022582606145

  日期：——

  Boiling of ethyl cyanoacetate with 6-tert-butyl-3-hydrazino-1,2,4-triazin-5(2H)-one in alkaline medium yielded 6-tert-butyl-3-(5-hydroxy-3-oxo-2,3-dihydro-1H-pyrazol-1-yl)-1,2,4-triazin-5(2H)-one. Acylation of 6-tert-butyl-3-hydrazino-1,2,4-triazin-5(2H)-one with benzoyl chloride furnished 3-benzoylhydrazido- 1,2,4-triazine that cyclized when treated with POCl3 providing a derivative of [1,2,4]triazolo[4,3-b][1,2,4]triazine. Boiling of 6-tert-butyl-3-hydrazino-1,2,4-triazin-5(2H)-one in glacial acetic acid gave rise to diacetylated derivative whereas the boiling with acetic anhydride in an inert solvent afforded monoacetylated product.
• The Reactions of 6-(tert-Butyl)-3-hydrazino-1,2,4-triazin-5(2H)-one with Carbonyl Compounds
  作者：L. M. Mironovich、M. A. Ivanov

  DOI：10.1023/b:cohc.0000008267.69391.d6

  日期：2003.9