N-(3-(4-chlorophenyl)prop-2-yn-1-yl)-4-methyl-N-(1-methyl-2-oxo-1,2-dihydroquinolin-6-yl)benzenesulfonamide | 1264630-65-0

• 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-(3-(4-chlorophenyl)prop-2-yn-1-yl)-4-methyl-N-(1-methyl-2-oxo-1,2-dihydroquinolin-6-yl)benzenesulfonamide
• CAS: 1264630-65-0
• 化学式: C₂₆H₂₁ClN₂O₃S
• 分子量: 476.983
• InChiKey: BAKKKLFVVDNNLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.75
• 重原子数：
  33.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  59.38
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  N-(3-(4-chlorophenyl)prop-2-yn-1-yl)-4-methyl-N-(1-methyl-2-oxo-1,2-dihydroquinolin-6-yl)benzenesulfonamide 在 碘 、 碳酸氢钠 作用下， 以 乙腈 为溶剂， 反应 17.0h， 以60%的产率得到10-(4-chlorophenyl)-9-iodo-4-methyl-7-tosyl-7,8-dihydro-4,7-phenanthrolin-3(4H)-one
  参考文献：
  名称：

  Regioselective synthesis of pyridoquinolones and pyridocoumarins via molecular iodine-mediated 6-endo-dig electrophilic cylization

  摘要：

  Angular-pyridoquinolone and pyridocoumarin derivatives have been efficiently synthesized in 60-95% yields by molecular iodine-mediated cyclization of easily available starting materials, 6-(N-propargyl)amino quinolone and coumarin derivatives, in the presence of NaHCO(3). The reaction was carried out at room temperature. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.11.066
• 作为产物：
  描述：

  对氯碘苯 、 4-methyl-N-(1-methyl-2-oxo-1,2-dihydroquinolin-6-yl)-N-(prop-2-yn-1-yl)benzenesulfonamide 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 N-(3-(4-chlorophenyl)prop-2-yn-1-yl)-4-methyl-N-(1-methyl-2-oxo-1,2-dihydroquinolin-6-yl)benzenesulfonamide
  参考文献：
  名称：

  Regioselective synthesis of pyridoquinolones and pyridocoumarins via molecular iodine-mediated 6-endo-dig electrophilic cylization

  摘要：

  Angular-pyridoquinolone and pyridocoumarin derivatives have been efficiently synthesized in 60-95% yields by molecular iodine-mediated cyclization of easily available starting materials, 6-(N-propargyl)amino quinolone and coumarin derivatives, in the presence of NaHCO(3). The reaction was carried out at room temperature. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.11.066