Ethanone, 1-[5-methyl-1-(4-pyrrol-1-yl-furazan-3-yl)-1H-[1,2,3]triazol-4-yl]- | 633279-54-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Ethanone, 1-[5-methyl-1-(4-pyrrol-1-yl-furazan-3-yl)-1H-[1,2,3]triazol-4-yl]-
• 英文别名: 1-[5-methyl-1-(4-pyrrol-1-yl-1,2,5-oxadiazol-3-yl)triazol-4-yl]ethanone
• CAS: 633279-54-6
• 化学式: C₁₁H₁₀N₆O₂
• mdl: MFCD03820567
• 分子量: 258.239
• InChiKey: WEOHNQSKAMALMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  91.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,5-二甲氧基四氢呋喃 、 1-[1-(4-Amino-furazan-3-yl)-5-methyl-1H-[1,2,3]triazol-4-yl]-ethanone 在 溶剂黄146 作用下， 反应 1.0h， 以74%的产率得到Ethanone, 1-[5-methyl-1-(4-pyrrol-1-yl-furazan-3-yl)-1H-[1,2,3]triazol-4-yl]-
  参考文献：
  名称：

  Synthesis of 1,2,4-oxadiazole-, pyrrole- and 1,2,3-triazole-substituted (1,2,3-triazol-1-yl)furazans

  摘要：

  The synthesis of tricyclic compounds with hitherto unknown combinations of heterocycles (1,2,3-triazol-1-yl)-1,2,5-oxadiazoles with 1,2,4-oxadiazol-3-yl, pyrrol-1-yl or 1,2,3-triazol-1-yl substituents at the furazan ring, was developed by interaction of corresponding substituted azidofurazans with 1,3-dicarbonyl compounds, and pyrrolyl derivatives were also synthesised by condensation of amino(1,2,3-triazol-1-yl)furazans with 2,5-dimethoxytetrahydrofuran.

  DOI：

  10.1016/j.mencom.2008.05.017

文献信息

• Synthesis of 1,2,4-oxadiazole-, pyrrole- and 1,2,3-triazole-substituted (1,2,3-triazol-1-yl)furazans
  作者：Vladimir Yu. Rozhkov、Lyudmila V. Batog、Marina I. Struchkova

  DOI：10.1016/j.mencom.2008.05.017

  日期：2008.5

  The synthesis of tricyclic compounds with hitherto unknown combinations of heterocycles (1,2,3-triazol-1-yl)-1,2,5-oxadiazoles with 1,2,4-oxadiazol-3-yl, pyrrol-1-yl or 1,2,3-triazol-1-yl substituents at the furazan ring, was developed by interaction of corresponding substituted azidofurazans with 1,3-dicarbonyl compounds, and pyrrolyl derivatives were also synthesised by condensation of amino(1,2,3-triazol-1-yl)furazans with 2,5-dimethoxytetrahydrofuran.