1-bromo-8-(hexylthio)octane | 96047-52-8

• 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-8-(hexylthio)octane
• 英文别名: 8-hexylthiooctyl bromide；1-Bromo-8-hexylsulfanyloctane
• CAS: 96047-52-8
• 化学式: C₁₄H₂₉BrS
• 分子量: 309.354
• InChiKey: OZTPXXPNFINHNB-UHFFFAOYSA-N

物化性质

• 沸点：
  353.7±25.0 °C(Predicted)
• 密度：
  1.078±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  16
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-bromo-8-(hexylthio)octane 、 三甲胺 以 乙醇 为溶剂， 反应 96.0h， 以92.7%的产率得到8-(hexylthio)octanyl-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：

  1,8-二溴辛烷 、 1-己硫醇 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 25.0h， 以54.1%的产率得到1-bromo-8-(hexylthio)octane
  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

文献信息

• Phenol derivatives
  申请人：IMPERIAL CHEMICAL INDUSTRIES PLC

  公开号：EP0124369A1

  公开（公告）日：1984-11-07

  A phenol derivative of the formula wherein NU is a defined bis-phenolic nucleus including a hydroxyphenyl-hydroxynaphthyl; hydroxyphenyl-hydroxy- indanyl, hydroxyphenyl-hydroxybenzothienyl or di-hydroxyethylene or vinylene nucleus; wherein A is alkylene, alkenylene or alkynylene which may be interrupted by phenylene or other linkages, wherein R1 is hydrogen, or alkyl, alkenyl, cycloalkyl, halogenoalkyl, aryl or arylalkyl, or R1 is joined to R2, and wherein X is -CONR2-, -CSNR2-, -NR12CO-, -NR12CS-, -NR12CONR2-, , -SO2NR2-or -CO-, or, when R is not hydrogen, is -NR12COO-, -S-, -SO- or -SO2-, wherein R2 is hydrogen or alkyl, or R1 and R2 together form alkylene; wherein R12 is hydrogen or alkyl, and wherein R22 is hydrogen, cyano or nitro; or a salt thereof when appropriate. The compounds possess antioestrogenic activity and may be used for the treatment of hormone-dependent breast tumours or of anovulatory infertility.

  式中的苯酚衍生物 其中 NU 是定义的双酚核，包括羟基苯基-羟基萘基、羟基苯基-羟基茚基、羟基苯基-羟基苯并噻吩基或二羟基乙烯基或乙烯基核； 其中 A 是亚烷基、亚烯基或亚炔基，可被亚苯基或其他连接物打断、 其中 R1 是氢、或烷基、烯基、环烷基、卤代烷基、芳基或芳烷基，或 R1 与 R2 连接，且其中 X 是-CONR2-、-CSNR2-、-NR12CO-、-NR12CS-、-NR12CONR2-、 ，-SO2NR2-或-CO-，或当 R 不是氢时，是-NR12COO-，-S-，-SO-或-SO2-，其中 R2 是氢或烷基，或 R1 和 R2 一起形成亚烷基； 其中 R12 是氢或烷基，R22 是氢、氰基或硝基； 或其适当的盐。这些化合物具有抗雌激素活性，可用于治疗激素依赖性乳腺肿瘤或无排卵性不孕症。
• US4732912A
  申请人：——

  公开号：US4732912A

  公开（公告）日：1988-03-22
• US4904661A
  申请人：——

  公开号：US4904661A

  公开（公告）日：1990-02-27
• US5021414A
  申请人：——

  公开号：US5021414A

  公开（公告）日：1991-06-04
• Exposure of Self-Assembly Interiors to External Elements. A Kinetic Approach
  作者：Fredric M. Menger、Lei Shi

  DOI：10.1021/ja062807i

  日期：2006.7.1

  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.