1-bromo-6-[6-(hexylthio)hexylthio]hexane | 906675-06-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1-bromo-6-[6-(hexylthio)hexylthio]hexane
• CAS: 906675-06-7
• 化学式: C₁₈H₃₇BrS₂
• 分子量: 397.528
• InChiKey: DMTPUNHDDRENCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.55
• 重原子数：
  21.0
• 可旋转键数：
  18.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-bromo-6-[6-(hexylthio)hexylthio]hexane 、 三甲胺 以 乙醇 为溶剂， 反应 96.0h， 以90%的产率得到6-[6-(hexylthio)hexylthio]hexyl-trimethylammonium bromide
  参考文献：
  名称：

  Exposure of Self-Assembly Interiors to External Elements. A Kinetic Approach

  摘要：

  Five cationic surfactants, each bearing a single sulfur at various locations along their chains, were adsorbed into sodium dodecyl sulfate micelles. An oxidant, periodate, was added to the system, and the subsequent rate of thioether oxidation to sulfoxide, determined by NMR, was found to be diminished (more or less equally for all sulfur loci) by 2 orders of magnitude. In contrast, rates of hydrogen peroxide oxidation were hardly perturbed by micellization. Once again, however, there was no rate dependence on sulfur location within the chains. These results are interpreted in terms of a disordered micelle in which all chain positions have roughly equivalent access to the micelle surface. The kinetic method for assessing exposure to the external medium is applicable to self-assemblies and polymer systems wherever the NMR resolution so permits.

  DOI：

  10.1021/ja062807i
• 作为产物：
  描述：

  1,6-己二硫醇 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 50.0h， 生成 1-bromo-6-[6-(hexylthio)hexylthio]hexane
  参考文献：
  名称：

  Exposure of Self-Assembly Interiors to External Elements. A Kinetic Approach

  摘要：

  Five cationic surfactants, each bearing a single sulfur at various locations along their chains, were adsorbed into sodium dodecyl sulfate micelles. An oxidant, periodate, was added to the system, and the subsequent rate of thioether oxidation to sulfoxide, determined by NMR, was found to be diminished (more or less equally for all sulfur loci) by 2 orders of magnitude. In contrast, rates of hydrogen peroxide oxidation were hardly perturbed by micellization. Once again, however, there was no rate dependence on sulfur location within the chains. These results are interpreted in terms of a disordered micelle in which all chain positions have roughly equivalent access to the micelle surface. The kinetic method for assessing exposure to the external medium is applicable to self-assemblies and polymer systems wherever the NMR resolution so permits.

  DOI：

  10.1021/ja062807i