S-(4-bromophenyl) octanethioate | 1607799-72-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚酯
• 英文名称: S-(4-bromophenyl) octanethioate
• CAS: 1607799-72-3
• 化学式: C₁₄H₁₉BrOS
• 分子量: 315.274
• InChiKey: OVRAETNPIUFWSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.43
• 重原子数：
  17.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  壬醛 、 4-溴苯硫酚 在 iron(II) bromide 、 叔丁醇 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以46%的产率得到S-(4-bromophenyl) octanethioate
  参考文献：
  名称：

  Iron-Catalyzed Synthesis of Thioesters from Thiols and Aldehydes in Water

  摘要：

  The preparation of thioesters through the iron-catalyzed coupling reaction of thiols with aldehydes is described. The reactions were carried out by using tert-butyl hydroperoxide (TBHP) as an oxidant and water as a solvent in most cases. This system is compatible with a variety of functional groups.

  DOI：

  10.1021/jo500574p

文献信息

• Microwave-assisted Synthesis of Thioesters from Aldehydes and Thiols in Water
  作者：Huei-Shu Jhuang、Yi-Wei Liu、Daggula Mallikarjuna Reddy、Yong-Ze Tzeng、Wei-Yu Lin、Chin-Fa Lee

  DOI：10.1002/jccs.201700045

  日期：2018.1

  We describe the synthesis of thioesters via copper‐ or iron‐catalyzed coupling of thiols with aldehydes on application of microwave irradiation. In this protocol, a variety of aliphatic and aromatic aldehydes and thiols were used, and the products were obtained in good to excellent yields.

  我们描述了在微波辐射下通过铜或铁催化的硫醇与醛的偶联反应合成硫酯。在该方案中，使用了各种脂族和芳族醛和硫醇，并以良好或优异的收率获得了产物。