2-(methylthio(phenyl)methyl)-1-phenylbutane-1,3-dione | 1011232-59-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 2-(methylthio(phenyl)methyl)-1-phenylbutane-1,3-dione
• 英文别名: 2-[Methylsulfanyl(phenyl)methyl]-1-phenylbutane-1,3-dione；2-[methylsulfanyl(phenyl)methyl]-1-phenylbutane-1,3-dione
• CAS: 1011232-59-9
• 化学式: C₁₈H₁₈O₂S
• 分子量: 298.406
• InChiKey: QHCBCGHNXSJGMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• 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：

  苄基甲基硫醚 、 1-苯基-1,3-丁二酮 在 邻四氯苯醌 作用下， 反应 8.0h， 以81%的产率得到(Z)-2-benzylidene-1-phenylbutane-1,3-dione
  参考文献：
  名称：

  C−H Bond Oxidation Initiated Pummerer- and Knoevenagel-Type Reactions of Benzyl Sulfide and 1,3-Dicarbonyl Compounds

  摘要：

  A novel Pummerer-type reaction was developed via o-chloranil-mediated C-H bond oxidation. The reaction provides a simple and efficient method to construct sulfide derivatives. A Knoevenagel-type reaction was also achieved via multiple C-H bonds activation under neutral reaction conditions.

  DOI：

  10.1021/ol702934k

文献信息

• C−H Bond Oxidation Initiated Pummerer- and Knoevenagel-Type Reactions of Benzyl Sulfide and 1,3-Dicarbonyl Compounds
  作者：Zhiping Li、Haijun Li、Xingwei Guo、Lin Cao、Rong Yu、Huanrong Li、Shiguang Pan

  DOI：10.1021/ol702934k

  日期：2008.3.1

  A novel Pummerer-type reaction was developed via o-chloranil-mediated C-H bond oxidation. The reaction provides a simple and efficient method to construct sulfide derivatives. A Knoevenagel-type reaction was also achieved via multiple C-H bonds activation under neutral reaction conditions.