N-[3-(1H-6-nitroindazol-1-yl)-propyl]-N'-[(4-nitrophenyl)-methylidene]-urea | 1360889-33-3

• 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: N-[3-(1H-6-nitroindazol-1-yl)-propyl]-N'-[(4-nitrophenyl)-methylidene]-urea
• 英文别名: N1-{3-(4-nitrobenzylideniminocarbamyl)propyl}-6-nitroindazole
• CAS: 1360889-33-3
• 化学式: C₁₈H₁₆N₆O₅
• 分子量: 396.362
• InChiKey: ABRQPMKPANFFFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.07
• 重原子数：
  29.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  145.56
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  N-[3-(1H-6-nitroindazol-1-yl)-propyl]-N'-[(4-nitrophenyl)-methylidene]-urea 在 sodium ethanolate 、 zinc(II) chloride 作用下， 以 乙醇 为溶剂， 反应 13.6h， 生成 N-[3-(1H-6-nitroindazol-1-yl)-propyl]-2-(4-nitrophenyl)-4-oxo-5-(4-nitrobenzylidene)-1,3-thiazolidine-carboxamide
  参考文献：
  名称：

  SYNTHESIS OF 4-THIAZOLIDINE DERIVATIVES OF 6-NITROINDAZOLE: PHARMACEUTICAL IMPORTANCE

  摘要：

  New series of N-[3-(1H-6-nitroindazol-1-yl)-propyl]-2-(substituted phenyl)-4-oxo-5-(substituted benzylidene)-1,3-thiazolidine-carboxamide, compounds 5(a-j) have been synthesized from 6-nitroindazole. Structures of all the synthesized compounds were confirmed by chemical and spectral analyses such as IR, H-1 NMR, C-13 NMR and FAB-Mass. All the synthesized compounds were screened for their antibacterial, antifungal, antitubercular and antiinflammatory activities.

  DOI：

  10.4067/s0717-97072012000100018
• 作为产物：
  描述：

  6-硝基吲唑 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 14.9h， 生成 N-[3-(1H-6-nitroindazol-1-yl)-propyl]-N'-[(4-nitrophenyl)-methylidene]-urea
  参考文献：
  名称：

  SYNTHESIS OF 4-THIAZOLIDINE DERIVATIVES OF 6-NITROINDAZOLE: PHARMACEUTICAL IMPORTANCE

  摘要：

  New series of N-[3-(1H-6-nitroindazol-1-yl)-propyl]-2-(substituted phenyl)-4-oxo-5-(substituted benzylidene)-1,3-thiazolidine-carboxamide, compounds 5(a-j) have been synthesized from 6-nitroindazole. Structures of all the synthesized compounds were confirmed by chemical and spectral analyses such as IR, H-1 NMR, C-13 NMR and FAB-Mass. All the synthesized compounds were screened for their antibacterial, antifungal, antitubercular and antiinflammatory activities.

  DOI：

  10.4067/s0717-97072012000100018

文献信息

• Synthesis ofN1-3-{(4-Substituted aryl-3-chloro-2-oxo-azetidine)-iminocarbamyl}-propyl-6-nitroindazole Derivatives and Their Biological Significance
  作者：Pushkal Samadhiya、Ritu Sharma、Santosh K. Srivastava、Savitri D. Srivastava

  DOI：10.1002/cjoc.201180311

  日期：2011.8

  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.