2,5-bis(4-methyloxo-2H-chromen-7-ylthio)-3,6-dichlorocyclohexa-2,5-diene-1,4-dione | 1578270-50-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 2,5-bis(4-methyloxo-2H-chromen-7-ylthio)-3,6-dichlorocyclohexa-2,5-diene-1,4-dione
• CAS: 1578270-50-4
• 化学式: C₂₆H₁₄Cl₂O₆S₂
• 分子量: 557.432
• InChiKey: WNTDJVYLIFBHAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.45
• 重原子数：
  36.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  94.56
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  四氯苯醌 、 7-疏基-4-甲基香豆素 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 12.0h， 以10%的产率得到2,5-bis(4-methyloxo-2H-chromen-7-ylthio)-3,6-dichlorocyclohexa-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