S-decyl 3-methylbenzothioate | 1607799-60-9

• 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: S-decyl 3-methylbenzothioate
• 英文别名: S-decyl 3-methylbenzenecarbothioate
• CAS: 1607799-60-9
• 化学式: C₁₈H₂₈OS
• 分子量: 292.486
• InChiKey: IGBLSXHXNPOQHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  20
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-癸硫醇 、 3-甲基苯甲醛 在 iron(II) bromide 、 叔丁醇 作用下， 以 水 为溶剂， 反应 1.0h， 以80%的产率得到S-decyl 3-methylbenzothioate
  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

• Iron-Catalyzed Synthesis of Thioesters from Thiols and Aldehydes in Water
  作者：Yu-Ting Huang、Shao-Yi Lu、Chih-Lun Yi、Chin-Fa Lee

  DOI：10.1021/jo500574p

  日期：2014.5.16

  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.