N-(2-allyl-2H-indazol-4-yl)-4-methylbenzenesulfonamide | 1310822-34-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(2-allyl-2H-indazol-4-yl)-4-methylbenzenesulfonamide
• 英文别名: 4-methyl-N-(2-prop-2-enylindazol-4-yl)benzenesulfonamide
• CAS: 1310822-34-4
• 化学式: C₁₇H₁₇N₃O₂S
• 分子量: 327.407
• InChiKey: OZSOHKRJOMYTJD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  72.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-硝基吲唑 在 tin(ll) chloride 、 potassium hydroxide 作用下， 以 丙酮 为溶剂， 反应 24.25h， 生成 N-(2-allyl-2H-indazol-4-yl)-4-methylbenzenesulfonamide 、 N-(2-allyl-7-ethoxy-2H-indazol-4-yl)-4-methylbenzenesulfonamide
  参考文献：
  名称：

  Alkylation and Reduction of N-Alkyl-4-nitroindazoles with Anhydrous SnCl2 in Ethanol: Synthesis of Novel 7-Ethoxy-N-alkylindazole Derivatives

  摘要：

  New series of indazoles substituted at the N-1 and N-2 positions and their 7-ethoxy derivatives have been synthesis starting from alkylation of 4-nitroindazole and reduction of alkyl-nitro-derivatives with anhydrous SnCl2 in ethanol. The structures of the products obtained were characterized using H-1 NMR, C-13 NMR, MS spectrometry and elemental analysis; the NMR spectroscopic data were used for structural assignment of the N-1 and N-2 isomers.

  DOI：

  10.3987/com-11-12149

文献信息

• Alkylation and Reduction of N-Alkyl-4-nitroindazoles with Anhydrous SnCl2 in Ethanol: Synthesis of Novel 7-Ethoxy-N-alkylindazole Derivatives
  作者：El Mostapha Rakib、Najat Abbassi、Abdellah Hannioui、Mdaghri Alaoui、Mohamed Benchidmi、El Mokhtar Essassi、Detlef Geffken

  DOI：10.3987/com-11-12149

  日期：——

  New series of indazoles substituted at the N-1 and N-2 positions and their 7-ethoxy derivatives have been synthesis starting from alkylation of 4-nitroindazole and reduction of alkyl-nitro-derivatives with anhydrous SnCl2 in ethanol. The structures of the products obtained were characterized using H-1 NMR, C-13 NMR, MS spectrometry and elemental analysis; the NMR spectroscopic data were used for structural assignment of the N-1 and N-2 isomers.