4-fluorodibenzothiophene S-oxide | 852377-92-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 4-fluorodibenzothiophene S-oxide
• 英文别名: 4-Fluorodibenzothiophene 5-oxide
• CAS: 852377-92-5
• 化学式: C₁₂H₇FOS
• 分子量: 218.251
• InChiKey: MRTFBZHZIQWWCV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  36.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-fluorodibenzothiophene S-oxide 、 sodium thiomethoxide 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以65%的产率得到4-(methylthio)dibenzothiophene S-oxide
  参考文献：
  名称：

  Photochemistry of Substituted Dibenzothiophene Oxides: The Effect of Trapping Groups¹

  摘要：

  Photolyses of dibenzothiophene sulfoxides (DBTOs) with intramolecular trapping functionalities attached in the 4-position show higher quantum yields of deoxygenation. Deoxygenation quantum yields are also less solvent dependent for the substituted DBTOs. Product analysis shows a detectable amount of intramolecular O-trapped products and suggests that solvent effects observed in previous studies of DBTO derive at least mainly from the reactivity between the oxidizing species that is released, presumably O(P-3), and the solvent, rather than from other macroscopic solvent parameters.

  DOI：

  10.1021/jo047995e
• 作为产物：
  描述：

  二苯并噻吩 在 正丁基锂 、 间氯过氧苯甲酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 22.0h， 生成 4-fluorodibenzothiophene S-oxide
  参考文献：
  名称：

  Photochemistry of Substituted Dibenzothiophene Oxides: The Effect of Trapping Groups¹

  摘要：

  Photolyses of dibenzothiophene sulfoxides (DBTOs) with intramolecular trapping functionalities attached in the 4-position show higher quantum yields of deoxygenation. Deoxygenation quantum yields are also less solvent dependent for the substituted DBTOs. Product analysis shows a detectable amount of intramolecular O-trapped products and suggests that solvent effects observed in previous studies of DBTO derive at least mainly from the reactivity between the oxidizing species that is released, presumably O(P-3), and the solvent, rather than from other macroscopic solvent parameters.

  DOI：

  10.1021/jo047995e

文献信息

• Photochemistry of Substituted Dibenzothiophene Oxides: The Effect of Trapping Groups¹
  作者：Mrinmoy Nag、William S. Jenks

  DOI：10.1021/jo047995e

  日期：2005.4.1

  Photolyses of dibenzothiophene sulfoxides (DBTOs) with intramolecular trapping functionalities attached in the 4-position show higher quantum yields of deoxygenation. Deoxygenation quantum yields are also less solvent dependent for the substituted DBTOs. Product analysis shows a detectable amount of intramolecular O-trapped products and suggests that solvent effects observed in previous studies of DBTO derive at least mainly from the reactivity between the oxidizing species that is released, presumably O(P-3), and the solvent, rather than from other macroscopic solvent parameters.