tert-butyl α-methylphenethyl sulfide | 129315-63-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tert-butyl α-methylphenethyl sulfide
• 英文别名: 1-Tert-butylsulfanylpropan-2-ylbenzene
• CAS: 129315-63-5
• 化学式: C₁₃H₂₀S
• 分子量: 208.368
• InChiKey: PFBSLMAKNCOAGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-苯基丙酸 、 叔丁基硫醇 在 indium (III) iodide 、 1,1,3,3-四甲基二硅氧烷 作用下， 以 氯仿 为溶剂， 反应 4.0h， 以85%的产率得到tert-butyl α-methylphenethyl sulfide
  参考文献：
  名称：

  Single-Step Thioetherification by Indium-Catalyzed Reductive Coupling of Carboxylic Acids with Thiols

  摘要：

  Direct thioetherification from a variety of aromatic carboxylic acids and thiols using a reducing system combined with InBr3 and 1,1,3,3-teramethyldisiloxane (TMDS) in a one-pot procedure is demonstrated. It was also found that a system combined with InI3 and TMDS underwent thioetherification of aliphatic carboxylic acids with thiols.

  DOI：

  10.1021/ol302109v

文献信息

• Single-Step Thioetherification by Indium-Catalyzed Reductive Coupling of Carboxylic Acids with Thiols
  作者：Norio Sakai、Takahiro Miyazaki、Tomohiro Sakamoto、Takuma Yatsuda、Toshimitsu Moriya、Reiko Ikeda、Takeo Konakahara

  DOI：10.1021/ol302109v

  日期：2012.9.7

  Direct thioetherification from a variety of aromatic carboxylic acids and thiols using a reducing system combined with InBr3 and 1,1,3,3-teramethyldisiloxane (TMDS) in a one-pot procedure is demonstrated. It was also found that a system combined with InI3 and TMDS underwent thioetherification of aliphatic carboxylic acids with thiols.