β-hydroxy-γphenoxypropyl-(n-octyl)sulfide | 18915-86-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: β-hydroxy-γphenoxypropyl-(n-octyl)sulfide
• 英文别名: octyl β-hydroxypropyl sulfide；3-octylthiopropan-2-ol；1-octylsulfanyl-propan-2-ol；1-octylmercapto-propan-2-ol；2-hydroxypropyl n-octyl sulfide；n-Octyl-β-hydroxypropylsulfid；Octyl b-hydroxypropyl sulfide；1-octylsulfanylpropan-2-ol
• CAS: 18915-86-1
• 化学式: C₁₁H₂₄OS
• 分子量: 204.377
• InChiKey: REQSFRGCSUKMJO-UHFFFAOYSA-N

物化性质

• 沸点：
  102-103 °C(Press: 0.2 Torr)
• 密度：
  0.920±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  13
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  45.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  β-hydroxy-γphenoxypropyl-(n-octyl)sulfide 在 sodium periodate 作用下， 以 甲醇 为溶剂， 反应 5.0h， 以79%的产率得到1-Octylsulfinylpropan-2-ol
  参考文献：
  名称：

  Chlebicki, Jan; Cichacz, Zbigniew, Polish Journal of Chemistry, 1986, vol. 60, # 4-6, p. 485 - 494

  摘要：

  DOI：
• 作为产物：
  描述：

  1-辛硫醇 在 lithium aluminium tetrahydride 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 生成 β-hydroxy-γphenoxypropyl-(n-octyl)sulfide
  参考文献：
  名称：

  Unique inhibition of a serine esterase

  摘要：

  The inhibition of insect juvenile hormone esterase by 3-octylthio-1,1,1-trifluoropropan-2-ol (K(i) = 9.5 x 10(-10)M) indicates that serine esterases may be unique from serine proteases.

  DOI：

  10.1016/s0040-4039(00)73668-9

文献信息

• Process for producing alkoxylated thio-compounds
  申请人：PHILLIPS PETROLEUM COMPANY

  公开号：EP0607916A1

  公开（公告）日：1994-07-27

  A composition comprising a base and an alkoxylated compound selected from the group consisting of an alkoxylated alcohol, alkoxylated mercaptan, and mixtures thereof can be used to catalyze the reaction of a sulfur-containing compound such as, for example, n-octyl mercaptan, or hydrogen sulfide, and an alkylene oxide such as, for example, propylene oxide to produce an alkoxylated thio-compound such as, for example, n-octyl mercaptan monopropoxylate or 1-mercapto-2-propanol.

  一种由碱和选自由烷氧基化醇、烷氧基化硫醇及其混合物组成的组的烷氧基化化合物构成的组合物，可用于催化含硫化合物（如：正辛基硫醇或硫化氢）与环氧亚烷基（如：环氧丙烷）的反应，生成烷氧基化硫代化合物（如：正辛基硫醇）、或硫化氢等含硫化合物与环氧丙烷等环氧烷的反应，生成烷氧基化硫代化合物，如硫醇单丙氧基化正辛酯或 1-巯基-2-丙醇。
• Kinetics and mechanism for the formation of three-, four-, and five-membered oxygen-containing heterocycles in the reaction of olefin epoxides with ?-, ?-, and ?-hydroxyalkyl sulfides
  作者：A. D. Malievskii、V. V. Vints、I. N. Kalugina

  DOI：10.1007/bf00951266

  日期：1985.2
• Routes for reactions of alkylene oxides with R-β-hydroxyalkyl sulfides: Unusual exchange of functional groups
  作者：A. D. Malievskii

  DOI：10.1134/s0965544112010069

  日期：2012.5

  Possible routes of the previously unknown exchange reaction of alkylene oxides with R-beta-hydroxyalkyl sulfides have been considered. Each route has intermediates and transition states of its own, but all the directions in the final stage lead to the formation of a single intermediate cyclic bipolar ion with intramolecular hydrogen bonding, which determines the common nature and composition of end products for all routes. The features of the reaction have been analyzed. The quantitative description of each route has been given.
• Chlebicki, Jan; Cichacz, Zbigniew, Polish Journal of Chemistry, 1989, vol. 63, # 1-3, p. 139 - 147
  作者：Chlebicki, Jan、Cichacz, Zbigniew

  DOI：——

  日期：——
• Negative temperature coefficient phenomenon in exchange reactions between alkene oxides and alkyl-?-hydroxyalkyl sulfides
  作者：�. F. Brin、V. V. Vints、A. D. Malievskii

  DOI：10.1007/bf01157326

  日期：1985.1