S-octyl 4-chlorobenzenecarbothioate | 1020261-28-2

• 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-octyl 4-chlorobenzenecarbothioate
• CAS: 1020261-28-2
• 化学式: C₁₅H₂₁ClOS
• 分子量: 284.85
• InChiKey: XRXFCFYESXMXKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  S-octyl 4-chlorobenzenecarbothioate 、 bis(2-methoxyethyl) disulfide 在 [RhCl(PPh₃)] 作用下， 以 various solvent(s) 为溶剂， 反应 1.5h， 以88%的产率得到S-(2-methoxy)ethyl 4-chlorobenzothioate
  参考文献：
  名称：

  Rhodium-catalyzed alkylthio exchange reaction of thioester and disulfide

  摘要：

  The Wilkinson complex RhCl(PPh3)(3) catalyzes equilibrating alkylthio exchange reaction of thioesters with disulfides. The treatment of a thioester and a dialkyl disulfide in refluxing diethyl ketone in the presence of RhCl(PPh3)(3) (2.5 mol %) for 1.5 h gave an alkylthio exchanged thioester. The reaction of S-methyl ester was conducted shifting the equilibrium by removing volatile dimethyl disulfide. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.01.109

文献信息

• Rhodium-catalyzed alkylthio exchange reaction of thioester and disulfide
  作者：Mieko Arisawa、Tomohiro Kubota、Masahiko Yamaguchi

  DOI：10.1016/j.tetlet.2008.01.109

  日期：2008.3

  The Wilkinson complex RhCl(PPh3)(3) catalyzes equilibrating alkylthio exchange reaction of thioesters with disulfides. The treatment of a thioester and a dialkyl disulfide in refluxing diethyl ketone in the presence of RhCl(PPh3)(3) (2.5 mol %) for 1.5 h gave an alkylthio exchanged thioester. The reaction of S-methyl ester was conducted shifting the equilibrium by removing volatile dimethyl disulfide. (c) 2008 Elsevier Ltd. All rights reserved.