1-bromo-3-(propylthio)propane | 119549-22-3

• 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-3-(propylthio)propane
• 英文别名: 1-bromo-3-propylsulfanylpropane
• CAS: 119549-22-3
• 化学式: C₆H₁₃BrS
• 分子量: 197.139
• InChiKey: BJVPBQFEKHPWSD-UHFFFAOYSA-N

物化性质

• 沸点：
  216.7±23.0 °C(Predicted)
• 密度：
  1.274±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  8
• 可旋转键数：
  5
• 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-3-(propylthio)propane 、 三甲胺 以 乙醇 为溶剂， 反应 96.0h， 以93.2%的产率得到3-(propylthio)propyl-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：

  丙烷-1-硫醇 、 1,3-二溴丙烷 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 25.0h， 以31.6%的产率得到1-bromo-3-(propylthio)propane
  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

• Novel 4-cyanophenyl derivatives with action against cardiac arrhythmia
  申请人：Aktiebolaget Hassle

  公开号：US05034411A1

  公开（公告）日：1991-07-23

  This application relates to novel 4 cyanophenyl derivatives which are useful for the treatment of cardiac arrhythmia and pharmaceutical compositions containing these compounds as the active ingredients.

  本申请涉及新颖的4-氰基苯基衍生物，这些衍生物对于治疗心律失常具有用途，以及含有这些化合物作为活性成分的药物组合物。
• Antiarrhythmic compounds and pharmaceutical compositions and methods
  申请人：Aktiebolaget Hassle

  公开号：US05155133A1

  公开（公告）日：1992-10-13

  A compound of the formula ##STR1## and when appropriate in the form of a racemic mixture or in the form of a stereoisomeric component and the pharmaceutically acceptable salts thereof, in which formula n is an integer 0, 1 or 2 Y is [CH.sub.2 ].sub.m, CHOH, CHOCH.sub.3, CHNHR or CHF, m is an integer 0 or 1 and R is hydrogen, methyl or ethyl, Z is hydrogen or a saturated or unsaturated, straight or branched alkyl group containing 1-3 carbon atoms, A is a group ##STR2## wherein R.sub.a is a straight or branched hydroxyalkyl or an alkyl group containing 1-5 carbon atoms and optionally substituted by one or more fluoro atoms, R.sub.c is a saturated or unsaturated, straight or branched alkyl group containing 1-4 carbon atoms and optionally substituted by one or more fluoro atoms, R.sub.a' is the same as Ra and independently of R.sub.a", R.sub.a" is the same as Ra and independently of R.sub.a', p is an integer 0, 1 or 2, s is an integer 2, 3, 4, 5 useful for the treatment of cardiac arrhythmia, pharmaceutical compositions containing such compounds as active ingredients, processes for preparation of such compounds as well as intermediates for their preparation.

  该化合物的化学式为##STR1##，在适当的情况下为外消旋混合物或立体异构体组分及其药物可接受的盐。其中，n为整数0、1或2，Y为[CH.sub.2].sub.m、CHOH、CHOCH.sub.3、CHNHR或CHF，m为整数0或1，R为氢、甲基或乙基，Z为氢或含1-3个碳原子的饱和或不饱和的直链或支链烷基，A为##STR2##，其中R.sub.a为直链或支链羟基烷基或含1-5个碳原子的烷基，并可选地被一个或多个氟原子取代，R.sub.c为含1-4个碳原子的饱和或不饱和的直链或支链烷基，并可选地被一个或多个氟原子取代，R.sub.a'与R.sub.a相同，而独立于R.sub.a'，R.sub.a"与R.sub.a相同，p为整数0、1或2，s为整数2、3、4、5，该化合物对治疗心律失常有用。药物组合物包含该化合物作为活性成分，制备该化合物的方法以及其制备的中间体。
• Novel antiarrhythmic agents II
  申请人：Aktiebolaget Hässle

  公开号：EP0322389A2

  公开（公告）日：1989-06-28

  Novel compounds of the formula wherein A is a group useful for the treatment of cardiac arrythmia, pharmaceutical compositions containing such compounds as active ingredients, processes for preparation of such compounds as well as intermediates for their preparation.

  式中的新型化合物 其中 A 是一个基团 可用于治疗心律失常的新型化合物、含有此类化合物作为活性成分的药物组合物、制备此类化合物的工艺以及制备此类化合物的中间体。
• Aced, Ahmed; Anklam, Elke; Asmus, Klaus-Dieter, Phosphorus, Sulfur and Silicon and the Related Elements, 1990, vol. 48, # 1-4, p. 53 - 62
  作者：Aced, Ahmed、Anklam, Elke、Asmus, Klaus-Dieter、Pohl, Klaus、Glass, Richard S.、et al.

  DOI：——

  日期：——
• Novel antiarrhythmic agents I
  申请人：Aktiebolaget Hässle

  公开号：EP0322390B1

  公开（公告）日：1992-11-11