N1-{3-(2-hydroxybenzylideniminocarbamyl)propyl}-6-nitroindazole | 1360889-44-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: N1-{3-(2-hydroxybenzylideniminocarbamyl)propyl}-6-nitroindazole
• CAS: 1360889-44-6
• 化学式: C₁₈H₁₇N₅O₄
• 分子量: 367.364
• InChiKey: OECQUQDGZGSHFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.87
• 重原子数：
  27.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  122.65
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N1-{3-(2-hydroxybenzylideniminocarbamyl)propyl}-6-nitroindazole 、 氯乙酰氯 在 三乙胺 作用下， 以 甲醇 为溶剂， 以65%的产率得到3-chloro-2-(2-hydroxyphenyl)-N-[3-(6-nitroindazol-1-yl)propyl]-4-oxoazetidine-1-carboxamide
  参考文献：
  名称：

  Synthesis ofN1-3-{(4-Substituted aryl-3-chloro-2-oxo-azetidine)-iminocarbamyl}-propyl-6-nitroindazole Derivatives and Their Biological Significance

  摘要：

  AbstractSynthesis ofN1‐3‐{(4‐substitute daryl‐3‐chloro‐2‐oxo‐azetidine)‐iminocarbamyl}‐propyl‐6‐nitroindazole 4a–4s was conducted by a conventional method. All the compounds were synthesized and characterized by IR, 1H NMR, 13C NMR, FAB‐Mass techniques and chemical methods. All the final synthesized compounds were evaluated for their antimicrobial activity and antitubercular activity with MIC values against some selected microorganisms.

  DOI：

  10.1002/cjoc.201180311
• 作为产物：
  描述：

  6-硝基吲唑 以 甲醇 为溶剂， 反应 12.0h， 生成 N1-{3-(2-hydroxybenzylideniminocarbamyl)propyl}-6-nitroindazole
  参考文献：
  名称：

  Synthesis ofN1-3-{(4-Substituted aryl-3-chloro-2-oxo-azetidine)-iminocarbamyl}-propyl-6-nitroindazole Derivatives and Their Biological Significance

  摘要：

  AbstractSynthesis ofN1‐3‐{(4‐substitute daryl‐3‐chloro‐2‐oxo‐azetidine)‐iminocarbamyl}‐propyl‐6‐nitroindazole 4a–4s was conducted by a conventional method. All the compounds were synthesized and characterized by IR, 1H NMR, 13C NMR, FAB‐Mass techniques and chemical methods. All the final synthesized compounds were evaluated for their antimicrobial activity and antitubercular activity with MIC values against some selected microorganisms.

  DOI：

  10.1002/cjoc.201180311