| 1280067-64-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1280067-64-2
• 化学式: C₇H₉NO*C₄₂H₇₀O₃₅
• 分子量: 1258.15
• InChiKey: LLYKRCGMXXDPLC-ZQOBQRRWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -13.95
• 重原子数：
  86.0
• 可旋转键数：
  8.0
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  589.3
• 氢给体数：
  22.0
• 氢受体数：
  37.0

反应信息

• 作为产物：
  描述：

  邻甲氧基苯胺 、 β-环糊精 以 乙醇 、 水 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  Study of inclusion complex of β-cyclodextrin and Ortho-Anisidine; photophysical and electrochemical behaviors

  摘要：

  Effect of solvents, buffer solutions of different pH and beta-cyclodextrin on the absorption spectra of Ortho-Anisidine (O-AN) have been investigated. The host-guest inclusion complexation between beta-CD and O-AN were investigated by spectrophotometric (UV-Visible) and electrochemical (CV) methods. The UV-Visible and CV studies indicated the beta-CD forms 1:1 inclusion complex with O-AN. In electrochemical studies the anodic peak current (i(pa)) decreased drastically with increasing beta-CD and the anodic peak potential (E-pa) shifted in positive direction. These result also evidence for the formation of inclusion complex between beta-CD and O-AN. A mechanism is proposed to explain the inclusion complex. The inclusion interaction was examined and the thermodynamic parameters (Delta G, Delta H and Delta S) of inclusion process are also determined. The experimental results indicated that the inclusion process is an exergonic and spontaneous process. Stable solid inclusion complex were prepared and characterized by FT-IR, Scanning Electron Microscopy (SEM) and X-ray diffraction and docking studies by RasMol tool methods. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2010.12.026