S-decyl 4-(trifluoromethyl)benzothioate | 1607799-63-2

• 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 4-(trifluoromethyl)benzothioate
• 英文别名: S-decyl 4-(trifluoromethyl)benzenecarbothioate
• CAS: 1607799-63-2
• 化学式: C₁₈H₂₅F₃OS
• 分子量: 346.457
• InChiKey: KBOXYGYXYVJAHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  23
• 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：
  5

反应信息

• 作为产物：
  描述：

  对三氟甲基苯甲醛 、 1-癸硫醇 在 iron(II) bromide 、 叔丁醇 作用下， 以 水 为溶剂， 反应 1.0h， 以68%的产率得到S-decyl 4-(trifluoromethyl)benzothioate
  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

• SO₂F₂‐Mediated Thioesterification of Carboxylic Acids with Thiols
  作者：Guofu Zhang、Huijie Qi、Chenfei Guan、Hui Jin、Ying Zhou、Chengrong Ding

  DOI：10.1002/ejoc.202400149

  日期：——

  This article described the thioesterification of carboxylic acids with thiols through the activation of sulfonyl fluoride (SO2F2). The presented one-pot two-step protocol was compatible with aryl/alkyl carboxylic acid including drug molecules.

  本文描述了通过磺酰氟 (SO 2 F 2 )的活化，羧酸与硫醇的硫酯化反应。所提出的一锅两步方案与芳基/烷基羧酸（包括药物分子）兼容。
• 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.