3-(9-thioxanthenyl)-2,4-pentanedione | 141221-92-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻喃类
• 英文名称: 3-(9-thioxanthenyl)-2,4-pentanedione
• 英文别名: 3-thioxanthen-9-yl-pentane-2,4-dione；3-Thioxanthen-9-yl-pentan-2,4-dion；3-(9H-thioxanthen-9-yl)pentane-2,4-dione
• CAS: 141221-92-3
• 化学式: C₁₈H₁₆O₂S
• 分子量: 296.39
• InChiKey: DEENFJAHWWGADL-UHFFFAOYSA-N

物化性质

• 沸点：
  434.3±33.0 °C(Predicted)
• 密度：
  1.210±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  59.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  9-羟基噻吨 、 乙酰丙酮 在 乙醇 、 溶剂黄146 作用下， 生成 3-(9-thioxanthenyl)-2,4-pentanedione
  参考文献：
  名称：

  Reaction of Thiaxanthydrol With Compounds Containing Active Hydrogen¹

  摘要：

  DOI：

  10.1021/jo01108a009

文献信息

• Manganese(III)-mediated carbon-carbon bond formation in the reaction of xanthenes with active methylene compounds
  作者：Hiroshi Nishino、Hironori Kamachi、Harumi Baba、Kazu Kurosawa

  DOI：10.1021/jo00039a010

  日期：1992.6

  Oxidation of xanthenes with manganese(III) acetate in the presence of active methylene compounds such as 1,3-dicarbonyl compounds, malononitrile derivatives, acetone, and nitromethane selectively gives 9-substituted xanthene derivatives in good yields. A similar oxidation of thioxanthene also yields 2-(9-thioxanthenyl)-1,3-dicarbonyl compounds in 57-91% yields. The obtained 2-(9-xanthenyl)-1,3-dicarbonyl compounds are readily converted to 2-(9-xanthenylidene)-1,3-dicarbonyl derivatives using manganese(III) complexes or 2,3-dichloro-5, 6-dicyano-1,4-benzoquinone. The mechanisms for the formation of 9-substituted xanthenes are discussed on the basis of the reaction of intermediates, the electron-donating substituent effect on the xanthene ring system, effect of additives, and comparison with a reaction of radical-trapping reagents.
• Reaction of Thiaxanthydrol With Compounds Containing Active Hydrogen¹
  作者：EUGENE SAWICKI、VINCENT T. OLIVERIO

  DOI：10.1021/jo01108a009

  日期：1956.2