2-methyl-3-naphthalen-1-yl-6,7-dihydro-5H-1,4-dithiepine | 247219-62-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-methyl-3-naphthalen-1-yl-6,7-dihydro-5H-1,4-dithiepine
• CAS: 247219-62-1
• 化学式: C₁₆H₁₆S₂
• 分子量: 272.435
• InChiKey: KUHHYSIEFWRDMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methyl-3-naphthalen-1-yl-6,7-dihydro-5H-1,4-dithiepine 在 氧气 作用下， 以 四氯化碳 为溶剂， 反应 12.0h， 以36%的产率得到
  参考文献：
  名称：

  Photooxidation of Methyldithiepins into Dithiepin Carboxaldehydes in Carbon Tetrachloride

  摘要：

  [GRAPHICS]Methyldihydrodithiepins are converted into the corresponding carboxaldehydes via a simple and efficient oxidation by oxygen in carbon tetrachloride. The reaction is not a radical chain process, The proposed mechanism involves photoinduced electron transfer from the starting dithiepin to solvent (CCl4) followed by a series of events depicted in Scheme 1, The critical feature of the mechanism is that formation of superoxide (O-2(.-)) is avoided, preventing direct oxidation of sulfur atoms.

  DOI：

  10.1021/ol990870p
• 作为产物：
  描述：

  2-甲基-1,3-二噻烷 在 正丁基锂 作用下， 生成 2-methyl-3-naphthalen-1-yl-6,7-dihydro-5H-1,4-dithiepine
  参考文献：
  名称：

  Photooxidation of Methyldithiepins into Dithiepin Carboxaldehydes in Carbon Tetrachloride

  摘要：

  [GRAPHICS]Methyldihydrodithiepins are converted into the corresponding carboxaldehydes via a simple and efficient oxidation by oxygen in carbon tetrachloride. The reaction is not a radical chain process, The proposed mechanism involves photoinduced electron transfer from the starting dithiepin to solvent (CCl4) followed by a series of events depicted in Scheme 1, The critical feature of the mechanism is that formation of superoxide (O-2(.-)) is avoided, preventing direct oxidation of sulfur atoms.

  DOI：

  10.1021/ol990870p

文献信息

• Photooxidation of Methyldithiepins into Dithiepin Carboxaldehydes in Carbon Tetrachloride
  作者：Yongqin Wan、Loren A. Barnhurst、Andrei G. Kutateladze

  DOI：10.1021/ol990870p

  日期：1999.9.1

  [GRAPHICS]Methyldihydrodithiepins are converted into the corresponding carboxaldehydes via a simple and efficient oxidation by oxygen in carbon tetrachloride. The reaction is not a radical chain process, The proposed mechanism involves photoinduced electron transfer from the starting dithiepin to solvent (CCl4) followed by a series of events depicted in Scheme 1, The critical feature of the mechanism is that formation of superoxide (O-2(.-)) is avoided, preventing direct oxidation of sulfur atoms.