Methyl 2-[(2-aminophenyl)sulfonylamino]benzoate | 885683-50-1

• 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: Methyl 2-[(2-aminophenyl)sulfonylamino]benzoate
• CAS: 885683-50-1
• 化学式: C₁₄H₁₄N₂O₄S
• 分子量: 306.342
• InChiKey: CAGLPCQSAXUMMU-UHFFFAOYSA-N

物化性质

• 沸点：
  500.4±60.0 °C(Predicted)
• 密度：
  1.400±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Methyl 2-[(2-aminophenyl)sulfonylamino]benzoate 、 1-Oxy-pyridine-2,6-dicarbonyl dichloride 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以45%的产率得到Methyl 2-[[2-[[6-[[2-[(2-methoxycarbonylphenyl)sulfamoyl]phenyl]carbamoyl]-1-oxidopyridin-1-ium-2-carbonyl]amino]phenyl]sulfonylamino]benzoate
  参考文献：
  名称：

  Self-assembly of aromatic sulfonamide–amide hybridized molecules: formation of 2D layers and 3D microporous networks in the solid state

  摘要：

  Three sulfonamide-amide hybridized molecules and one cyclic analogue were synthesized and their assembling behaviors in the solid state were investigated by X-ray crystallography. The results showed that the hybridized molecules could be not only induced to take up helical secondary structures by a network of intramolecular hydrogen bonds, but also utilized as useful building blocks for assembling into 1D zigzag chains and superhelices, 2D layers and further 3D networks. Moreover, it was found that the multiple C-(HO)-O-. . .=S hydrogen bonds played an important role in the assembling processes. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.12.058
• 作为产物：
  描述：

  邻氨基苯甲酸甲酯 在 palladium on activated charcoal 氢气 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 20.0h， 生成 Methyl 2-[(2-aminophenyl)sulfonylamino]benzoate
  参考文献：
  名称：

  Self-assembly of aromatic sulfonamide–amide hybridized molecules: formation of 2D layers and 3D microporous networks in the solid state

  摘要：

  Three sulfonamide-amide hybridized molecules and one cyclic analogue were synthesized and their assembling behaviors in the solid state were investigated by X-ray crystallography. The results showed that the hybridized molecules could be not only induced to take up helical secondary structures by a network of intramolecular hydrogen bonds, but also utilized as useful building blocks for assembling into 1D zigzag chains and superhelices, 2D layers and further 3D networks. Moreover, it was found that the multiple C-(HO)-O-. . .=S hydrogen bonds played an important role in the assembling processes. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.12.058