3-亚肼基-2,4-戊烷二酮 | 139938-55-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-亚肼基-2,4-戊烷二酮
• 中文别名: 2,3,4-戊三酮,3-腙(9CI)
• 英文名称: 2,3,4-Pentanetrione 3-hydrazone
• 英文别名: 3-hydrazinylidenepentane-2,4-dione
• CAS: 139938-55-9
• 化学式: C₅H₈N₂O₂
• 分子量: 128.131
• InChiKey: TUSXNSYODVJKKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.52
• 重原子数：
  9.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  72.52
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3-亚肼基-2,4-戊烷二酮 在 吡啶 、 ammonium acetate 、 溶剂黄146 作用下， 反应 5.0h， 生成 1-(3-乙基-5-甲基-1,2,4-三嗪-6-基)乙酮
  参考文献：
  名称：

  Synthesis of 1, 2, 4-triazines, XII

  摘要：

  6-Acyl- (15, 17) and 6-ethoxycarbonyl-5-substituted 1,2,4-triazines (11) were prepared by refluxing acylhydrazones (10, 14) or N,N-dimethylaminomethylenehydrazones (16) with ammonium acetate in acetic acid. NMR-studies confirmed the high regio selectivity of this procedure.

  DOI：

  10.1016/s0040-4020(01)88125-4
• 作为产物：
  描述：

  (2Z)-3-偶氮基-4-氧代-2-戊烯-2-醇 在 三苯基膦 作用下， 以 水 为溶剂， 反应 1.33h， 以90%的产率得到3-亚肼基-2,4-戊烷二酮
  参考文献：
  名称：

  PPh3-mediated reactions of diazoimides in water: a facile synthesis of fused triazine derivatives

  摘要：

  Triphenylphosphine-mediated reactions of diazoimides in water were carried out under mild conditions to afford several triazine derivatives in high yields. We have demonstrated an environment friendly methodology to synthesize triazine derivatives. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.01.021

文献信息

• Synthesis of 1, 2, 4-triazines, XII
  作者：Tadashi Ohsumi、Hans Neunhoeffer

  DOI：10.1016/s0040-4020(01)88125-4

  日期：——

  6-Acyl- (15, 17) and 6-ethoxycarbonyl-5-substituted 1,2,4-triazines (11) were prepared by refluxing acylhydrazones (10, 14) or N,N-dimethylaminomethylenehydrazones (16) with ammonium acetate in acetic acid. NMR-studies confirmed the high regio selectivity of this procedure.
• PPh3-mediated reactions of diazoimides in water: a facile synthesis of fused triazine derivatives
  作者：Sengodagounder Muthusamy、Pandurangan Srinivasan

  DOI：10.1016/j.tetlet.2009.01.021

  日期：2009.3

  Triphenylphosphine-mediated reactions of diazoimides in water were carried out under mild conditions to afford several triazine derivatives in high yields. We have demonstrated an environment friendly methodology to synthesize triazine derivatives. (C) 2009 Elsevier Ltd. All rights reserved.