3-Phenyl-1-thio-isocumarin | 54199-56-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3-Phenyl-1-thio-isocumarin
• 英文别名: 3-Phenylisochromene-1-thione
• CAS: 54199-56-3
• 化学式: C₁₅H₁₀OS
• 分子量: 238.31
• InChiKey: UVKOESWGUWOEDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-methyl-3-phenyl-2-benzopyrylium perchlorate 、 3-Phenyl-1-thio-isocumarin 以 乙酸酐 为溶剂， 反应 0.03h， 以64%的产率得到1-<3-(3-phenyl-2-benzo-1-pyranylidene)methyl>-3-phenyl-2-benzopyrylium perchlorate
  参考文献：
  名称：

  Pyrylocyanines. 9. Isobenzopyrylocyanines

  摘要：

  DOI：

  10.1007/bf02401687
• 作为产物：
  描述：

  3-phenyl-isocoumarin 在 劳森试剂 作用下， 以 甲苯 为溶剂， 以92%的产率得到3-Phenyl-1-thio-isocumarin
  参考文献：
  名称：

  Isocoumarin Thioanalogues as Potential Antibacterial Agents

  摘要：

  A series of 3-substituted-1H-isochromene-1-thiones (3) were prepared by the reaction of 3-substituted isocoumarins (2) with Lawesson's reagent in the presence of toluene under a nitrogen atmosphere. The antimicrobial activities of the newly synthesized products were measured using Gram-negative (Escherichia coli, Salmonella typhi, and Proteus mirabilis) and Gram-positive bacteria (Staphylococcus aureus and Bacillus cereus). Synthesized thioanalogue of isocoumarins showed good antibacterial activity against Proteus mirabilis.

  DOI：

  10.1080/10426500802529507

文献信息

• TOLMACHEV A. I.; SHULEZHKO L. M., XIMIYA GETEROTSIKL. SOEDIN., 1980, HO 2, 193-198
  作者：TOLMACHEV A. I.、 SHULEZHKO L. M.

  DOI：——

  日期：——
• Isocoumarin Thioanalogues as Potential Antibacterial Agents
  作者：P. Manivel、S. Mohana Roopan、D. Prem Kumar、F. Nawaz Khan

  DOI：10.1080/10426500802529507

  日期：2009.10.13

  A series of 3-substituted-1H-isochromene-1-thiones (3) were prepared by the reaction of 3-substituted isocoumarins (2) with Lawesson's reagent in the presence of toluene under a nitrogen atmosphere. The antimicrobial activities of the newly synthesized products were measured using Gram-negative (Escherichia coli, Salmonella typhi, and Proteus mirabilis) and Gram-positive bacteria (Staphylococcus aureus and Bacillus cereus). Synthesized thioanalogue of isocoumarins showed good antibacterial activity against Proteus mirabilis.
• Pyrylocyanines. 9. Isobenzopyrylocyanines
  作者：A. I. Tolmachev、L. M. Shulezhko

  DOI：10.1007/bf02401687

  日期：1980.2