4,5-dimethoxy-1-(4-methylphenylsulfonylamino)-2-{5-[2-(4-methylphenylsulfonylamino)phenyl]-2-furylmethyl}benzene | 1198019-20-3

• 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: 4,5-dimethoxy-1-(4-methylphenylsulfonylamino)-2-{5-[2-(4-methylphenylsulfonylamino)phenyl]-2-furylmethyl}benzene
• 英文别名: N-[2-[5-[[4,5-dimethoxy-2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]furan-2-yl]phenyl]-4-methylbenzenesulfonamide
• CAS: 1198019-20-3
• 化学式: C₃₃H₃₂N₂O₇S₂
• 分子量: 632.758
• InChiKey: DGWBTUPNIJRGAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  44
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  141
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  4,5-dimethoxy-1-(4-methylphenylsulfonylamino)-2-{5-[2-(4-methylphenylsulfonylamino)phenyl]-2-furylmethyl}benzene 在 盐酸 作用下， 以 乙醇 为溶剂， 反应 1.5h， 以70%的产率得到2-{3-[5,6-dimethoxy-1-(4-methylphenylsulfonyl)-1H-indol-2-yl]propanoyl}-1-(4-methylphenyl-sulfonylamino)benzene
  参考文献：
  名称：

  Recyclization of tosylamino derivatives of 2-aryl-5-benzylfuran to give indoles through two alternative pathways

  摘要：

  The recyclization of derivatives of 2-aryl-5-benzylfuran containing a tosylamine fragment to give indoles has been studied. If the tosylamino group is in the ortho position of the aryl substituent, the recyclization proceeds such that the furan ring may be seen as a formal equivalent of a 1,3-diketone. If, on the other hand, the tosylamino group is in the ortho positions of both the aryl and benzyl substituents, the recyclization proceeds through a pathway, in which the furan ring acts as the equivalent of a 1,4-dicarbonyl compound.

  DOI：

  10.1007/s10593-009-0274-y
• 作为产物：
  描述：

  3,4-dimethoxyphenyl[5-(2-nitrophenyl)-2-furyl]methanone 在 吡啶 、 aluminum (III) chloride 、 sodium tetrahydroborate 、 硝酸 、 铁粉 作用下， 以 四氢呋喃 、 水 、 溶剂黄146 、 乙酸乙酯 为溶剂， 反应 14.17h， 生成 4,5-dimethoxy-1-(4-methylphenylsulfonylamino)-2-{5-[2-(4-methylphenylsulfonylamino)phenyl]-2-furylmethyl}benzene
  参考文献：
  名称：

  Recyclization of tosylamino derivatives of 2-aryl-5-benzylfuran to give indoles through two alternative pathways

  摘要：

  The recyclization of derivatives of 2-aryl-5-benzylfuran containing a tosylamine fragment to give indoles has been studied. If the tosylamino group is in the ortho position of the aryl substituent, the recyclization proceeds such that the furan ring may be seen as a formal equivalent of a 1,3-diketone. If, on the other hand, the tosylamino group is in the ortho positions of both the aryl and benzyl substituents, the recyclization proceeds through a pathway, in which the furan ring acts as the equivalent of a 1,4-dicarbonyl compound.

  DOI：

  10.1007/s10593-009-0274-y