trans-4-methyl-2,2,3-triphenylthietane

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: trans-4-methyl-2,2,3-triphenylthietane
• 英文别名: (3R,4R)-4-methyl-2,2,3-triphenylthietane
• 化学式: C₂₂H₂₀S
• 分子量: 316.467
• InChiKey: RWVNXKPMGYDZQU-UTKZUKDTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  trans-4-methyl-2,2,3-triphenylthietane 以 乙腈 为溶剂， 反应 0.5h， 以16%的产率得到三苯乙烯
  参考文献：
  名称：

  Photoinduced Electron-Transfer Cycloreversion of Thietanes: The Role of Ion−Molecule Complexes

  摘要：

  Cycloreversion (CR) of thietane radical cations leads to formation of thiobenzophenone and the corresponding alkenes, eventually followed by secondary [4 + 2] cycloaddition. Final product distribution depends on the ability of fragments to escape from ion molecule complexes (IMCs).

  DOI：

  10.1021/ol100520m
• 作为产物：
  描述：

  甲基苯乙烯 、 二苯基甲烷硫酮 生成 trans-4-methyl-2,2,3-triphenylthietane
  参考文献：
  名称：

  Photoinduced Electron-Transfer Cycloreversion of Thietanes: The Role of Ion−Molecule Complexes

  摘要：

  Cycloreversion (CR) of thietane radical cations leads to formation of thiobenzophenone and the corresponding alkenes, eventually followed by secondary [4 + 2] cycloaddition. Final product distribution depends on the ability of fragments to escape from ion molecule complexes (IMCs).

  DOI：

  10.1021/ol100520m

文献信息

• Photoinduced Electron-Transfer Cycloreversion of Thietanes: The Role of Ion−Molecule Complexes
  作者：Juan Elias Argüello、Raúl Pérez-Ruiz、Miguel A. Miranda

  DOI：10.1021/ol100520m

  日期：2010.4.16

  Cycloreversion (CR) of thietane radical cations leads to formation of thiobenzophenone and the corresponding alkenes, eventually followed by secondary [4 + 2] cycloaddition. Final product distribution depends on the ability of fragments to escape from ion molecule complexes (IMCs).