6-ethoxy-2,3,5-tris(pentafluorophenylthio)cyclohexa-2,5-diene-1,4-dione | 1578270-36-6

• 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: 6-ethoxy-2,3,5-tris(pentafluorophenylthio)cyclohexa-2,5-diene-1,4-dione
• CAS: 1578270-36-6
• 化学式: C₂₆H₅F₁₅O₃S₃
• 分子量: 746.498
• InChiKey: GCBCYSSQDAUUOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.06
• 重原子数：
  47.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  乙醇 、 五氟苯硫酚 、 四氯苯醌 在 sodium carbonate 作用下， 反应 8.0h， 以18%的产率得到6-ethoxy-2,3,5-tris(pentafluorophenylthio)cyclohexa-2,5-diene-1,4-dione
  参考文献：
  名称：

  The Synthesis, Characterization, and Electrochemical Investigation of Novel Thio- and Alkoxy-Substituted Benzoquinone Derivatives

  摘要：

  Novel thio- and alkoxy-substituted benzoquinone derivatives were synthesized from the reactions of p-chloranil (1) and related nucleophiles in a sodium carbonate (Na2CO3) solution of acetonitrile or in chloroform with Et3N. The structures of novel compounds were characterized by using microanalysis, FTIR, H-1 NMR, C-13 NMR, MS, CV, and fluorescence spectroscopy. [Supplementary materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements for the following free supplemental files: Additional text and figures.]

  DOI：

  10.1080/10426507.2013.829833