6-Fluoro-5-(4-methylpiperazin-1-yl)-3-oxido-2,1,3-benzoxadiazol-3-ium | 264626-59-7

• 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: 6-Fluoro-5-(4-methylpiperazin-1-yl)-3-oxido-2,1,3-benzoxadiazol-3-ium
• CAS: 264626-59-7
• 化学式: C₁₁H₁₃FN₄O₂
• 分子量: 252.248
• InChiKey: XWEOGFSABCAIBL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  58
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-Fluoro-5-(4-methylpiperazin-1-yl)-3-oxido-2,1,3-benzoxadiazol-3-ium 在 三苯基膦 作用下， 以 苯 为溶剂， 反应 3.0h， 以58%的产率得到5-fluoro-6-(4-methylpiperazin-1-yl)-2,1,3-benzoxadiazole
  参考文献：
  名称：

  5(6)-Fluoro-6(5)-R-benzofuroxans: synthesis and NMR , and studies

  摘要：

  5(6)-Fluoro-6(5)-substituted benzofuroxans were obtained by the reactions of 5,6-difluorobenzofuroxan with a number of nucleophiles, such as alkylamines, cycloalkylimines, sodium azide and sodium alkoxides. The features of tautomerism in the series of asymmetrical 5(6)-fluorobenzofuroxans in acetone solutions have been studied by H-1, C-13 and F-19 NMR. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2003.11.011
• 作为产物：
  描述：

  4,5-Difluoro-2-nitrophenyl azide 以 乙醇 、 溶剂黄146 为溶剂， 反应 1.0h， 生成 6-Fluoro-5-(4-methylpiperazin-1-yl)-3-oxido-2,1,3-benzoxadiazol-3-ium
  参考文献：
  名称：

  5(6)-Fluoro-6(5)-R-benzofuroxans: synthesis and NMR , and studies

  摘要：

  5(6)-Fluoro-6(5)-substituted benzofuroxans were obtained by the reactions of 5,6-difluorobenzofuroxan with a number of nucleophiles, such as alkylamines, cycloalkylimines, sodium azide and sodium alkoxides. The features of tautomerism in the series of asymmetrical 5(6)-fluorobenzofuroxans in acetone solutions have been studied by H-1, C-13 and F-19 NMR. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2003.11.011

文献信息

• 5(6)-Fluoro-6(5)-R-benzofuroxans: synthesis and NMR , and studies
  作者：S.K Kotovskaya、S.A Romanova、V.N Charushin、M.I Kodess、O.N Chupakhin

  DOI：10.1016/j.jfluchem.2003.11.011

  日期：2004.3

  5(6)-Fluoro-6(5)-substituted benzofuroxans were obtained by the reactions of 5,6-difluorobenzofuroxan with a number of nucleophiles, such as alkylamines, cycloalkylimines, sodium azide and sodium alkoxides. The features of tautomerism in the series of asymmetrical 5(6)-fluorobenzofuroxans in acetone solutions have been studied by H-1, C-13 and F-19 NMR. (C) 2003 Elsevier B.V. All rights reserved.