S-(4-Methylphenyl) 4-ethoxybenzene-1-carbothioate | 62525-84-2

• 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-(4-Methylphenyl) 4-ethoxybenzene-1-carbothioate
• 英文别名: S-(4-methylphenyl) 4-ethoxybenzenecarbothioate
• CAS: 62525-84-2
• 化学式: C₁₆H₁₆O₂S
• 分子量: 272.368
• InChiKey: DXESGQHHTKEOFP-UHFFFAOYSA-N

物化性质

• 沸点：
  399.5±42.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  六氟苯 、 S-(4-Methylphenyl) 4-ethoxybenzene-1-carbothioate 在 hydridotetakis(triphenylphosphine)rhodium(I) 、 1,2-双(二苯基膦)乙烷 作用下， 以 氯苯 为溶剂， 反应 3.0h， 以88%的产率得到4-ethoxybenzoyl fluoride
  参考文献：
  名称：

  Rhodium-catalyzed interconversion between acid fluorides and thioesters controlled using heteroatom acceptors

  摘要：

  A rhodium complex catalyzed the equilibrium acyl transfer reaction between acid fluorides and thioesters. In the presence of fluoride or thiolate acceptors, the reaction could be shifted to either product. RhH(PPh3)(4)-dppe catalyzed the reaction of acid fluorides and diorgano disulfides in the presence of triphenylphosphine giving thioesters, which was accompanied by triphenylphosphine difluoride. The same complex catalyzed the reaction of aryl thioesters and hexafluorobenzene giving acid fluorides, which was accompanied by 1,4-di(arylthio)-2,3,5,6-tetrafluorobenzenes. (C) 2010 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2010.09.009

文献信息

• Rhodium-catalyzed interconversion between acid fluorides and thioesters controlled using heteroatom acceptors
  作者：Mieko Arisawa、Toru Yamada、Masahiko Yamaguchi

  DOI：10.1016/j.tetlet.2010.09.009

  日期：2010.11

  A rhodium complex catalyzed the equilibrium acyl transfer reaction between acid fluorides and thioesters. In the presence of fluoride or thiolate acceptors, the reaction could be shifted to either product. RhH(PPh3)(4)-dppe catalyzed the reaction of acid fluorides and diorgano disulfides in the presence of triphenylphosphine giving thioesters, which was accompanied by triphenylphosphine difluoride. The same complex catalyzed the reaction of aryl thioesters and hexafluorobenzene giving acid fluorides, which was accompanied by 1,4-di(arylthio)-2,3,5,6-tetrafluorobenzenes. (C) 2010 Published by Elsevier Ltd.