| 143509-50-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 143509-50-6
• 化学式: Br*C₁₅H₃₄N*C₄₂H₇₀O₃₅
• 分子量: 1443.34
• InChiKey: DKRFAKHPTHETIX-QEJSXMIFSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -13.61
• 重原子数：
  94.0
• 可旋转键数：
  18.0
• 环数：
  21.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  554.05
• 氢给体数：
  21.0
• 氢受体数：
  35.0

反应信息

• 作为产物：
  描述：

  月桂基三甲基溴化铵 、 β-环糊精 以 water-d2 为溶剂， 反应 1461.0h， 生成
  参考文献：
  名称：

  Cyclodextrin–Surfactant Coassembly Depends on the Cyclodextrin Ability To Crystallize

  摘要：

  Full equilibrium phase diagrams are presented for two ternary systems composed of the cationic surfactant dodecyltrimethylammonium bromide (DTAB), water (D2O), and a cyclodextrin, either beta-cyclodextrin (beta-CD) or (2-hydroypropyl)-beta-cyclodextrin (2HP beta CD). H-2 NMR, SAXS, WAXS, and visual examination were used to determine the phase boundaries and characterize the nature of the phases formed. Additionally, diffusion H-1 NMR was used to investigate parts of the diagrams. The water solubility of 2HP beta CD is 80% (w/w), whereas it is only 1.85% (w/w) for beta-CD. Solubility increases for both species upon complexation with DTAB; while the increase is minute for 2HP beta CD, it is dramatic for beta-CD. Both systems displayed an isotropic liquid solution (L-1) one-phase region, the extension of which differs extensively between the two systems. Additionally, the DTAB:2HP beta CD:water system also comprised a normal hexagonal (H-1) area, which was not found for the DTAB:beta-CD:water system. In the DTAB:beta-CD:water system, on the other hand, we found cocrystallization of DTAB and beta-CD. From this work we conclude that DTAB and CD molecules form 1:1 inclusion complexes with high affinities. Moreover, we observed indications of an association of 2HP beta CD to DTAB micelles in the isotropic solution phase, which was not the case for beta-CD and DTAB micelles. This is, to our knowledge, the first complete phase diagrams of surfactant-CD mixtures; as a novel feature it includes the observation of cocrystallization at high concentrations.

  DOI：

  10.1021/la203673w