| 1187031-88-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1187031-88-4
• 化学式: C₁₂H₁₂N₂O₂S*C₄₂H₇₀O₃₅
• 分子量: 1383.3
• InChiKey: SMTKZKDQALETHS-ZQOBQRRWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13.55
• 重原子数：
  94.0
• 可旋转键数：
  9.0
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  640.23
• 氢给体数：
  23.0
• 氢受体数：
  39.0

反应信息

• 作为反应物：
  描述：

  生成 3,3'-二氨基二苯砜 、 β-环糊精
  参考文献：
  名称：

  Fluorimetric and prototropic studies on the inclusion complexation of 3,3′-diaminodiphenylsulphone with β-cyclodextrin and its unusual behavior

  摘要：

  The photophysical and photoprototropic properties of 3,3'-diaminodiphenylsulphone (3DADPS) in aqueous beta-cyclodextrin (beta-CDx) solution have been investigated using absorption and fluorescence spectral techniques. beta-CDx forms 1:1 inclusion complex with 3DADPS as revealed by steady state and time-resolved fluorescence spectroscopy. This inclusion complex formation was also confirmed by the FT-IR and SEM image analysis of solid complex prepared by co-precipitation method. The existence of twisted intramolecular charge transfer state and the unusual red shift observed during inclusion complexation were analyzed and discussed. The ground and excited state acidity constants in beta-CDx are reported. Based on the photophysical and photoprototropic characteristics of 3DADPS in beta-CDx, the structure of the 1:1 inclusion complex is proposed. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2010.06.021
• 作为产物：
  描述：

  3,3'-二氨基二苯砜 、 β-环糊精 生成
  参考文献：
  名称：

  Fluorimetric and prototropic studies on the inclusion complexation of 3,3′-diaminodiphenylsulphone with β-cyclodextrin and its unusual behavior

  摘要：

  The photophysical and photoprototropic properties of 3,3'-diaminodiphenylsulphone (3DADPS) in aqueous beta-cyclodextrin (beta-CDx) solution have been investigated using absorption and fluorescence spectral techniques. beta-CDx forms 1:1 inclusion complex with 3DADPS as revealed by steady state and time-resolved fluorescence spectroscopy. This inclusion complex formation was also confirmed by the FT-IR and SEM image analysis of solid complex prepared by co-precipitation method. The existence of twisted intramolecular charge transfer state and the unusual red shift observed during inclusion complexation were analyzed and discussed. The ground and excited state acidity constants in beta-CDx are reported. Based on the photophysical and photoprototropic characteristics of 3DADPS in beta-CDx, the structure of the 1:1 inclusion complex is proposed. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2010.06.021