prodan | 1427750-67-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: prodan
• CAS: 1427750-67-1
• 化学式: C₁₆H₁₇NO*C₄₂H₇₀O₃₅
• 分子量: 1374.31
• InChiKey: FCKXPHBDEVLBRA-ZQOBQRRWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -11.81
• 重原子数：
  95.0
• 可旋转键数：
  8.0
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  574.36
• 氢给体数：
  21.0
• 氢受体数：
  37.0

反应信息

• 作为产物：
  描述：

  prodan 、 β-环糊精 以 甲醇 、 水 为溶剂， 反应 4.0h， 生成 prodan
  参考文献：
  名称：

  Local Solvent Acidities in β-Cyclodextrin Complexes with PRODAN Derivatives

  摘要：

  The local solvent acidities (SA scale) of six 6-carbonyl-2-aminonaphthalene derivatives as beta-cyclodextrin complexes in water are determined through fluorescence quenching. The local polarities (E-T(N) scale) are determined through the shift of the emission center-of-mass. The apparent SA values reflect the solvent structure surrounding the guest's carbonyl group, whereas the apparent E-T(N) values reveal the net polarity of the entire guest molecule. Comparison of these values affords greater insight into the structures of the host-guest complexes. Derivatives 1 and 5 show unusually large acidities, indicative of highly exposed carbonyl groups. The remaining compounds give emission intensities pointing to shielded carbonyl groups. In this study, PRODAN and its derivatives are functioning as dual channel sensors of their local environment.

  DOI：

  10.1021/jp400765x