N-(2-benzyl-7-ethoxy-2H-indazol-4-yl)-4-methylbenzenesulfonamide | 1310822-33-3

• 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-benzyl-7-ethoxy-2H-indazol-4-yl)-4-methylbenzenesulfonamide
• 英文别名: N-(2-benzyl-7-ethoxyindazol-4-yl)-4-methylbenzenesulfonamide
• CAS: 1310822-33-3
• 化学式: C₂₃H₂₃N₃O₃S
• 分子量: 421.52
• InChiKey: LYYLUFOQQWKBJB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  81.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  乙醇 、 2-benzyl-4-nitro-2H-indazole 、 对甲苯磺酰氯 在 tin(ll) chloride 、 吡啶 作用下， 反应 24.0h， 以45%的产率得到N-(2-benzyl-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.