3-methylazepane-2-thione | 166535-57-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: 3-methylazepane-2-thione
• CAS: 166535-57-5
• 化学式: C₇H₁₃NS
• mdl: MFCD19220353
• 分子量: 143.253
• InChiKey: NIFBHLVKSMMCNH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.857
• 拓扑面积：
  44.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-methylazepane-2-thione 在 对甲苯磺酰叠氮 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 6.0h， 生成 3-diazo-10-methyl-3,4,6,7,8,9-hexahydro-2H-azepino<2,1-b><1,3>thiazine-2,4-dione
  参考文献：
  名称：

  8H-Anhydro-4-hydroxy-2-oxo-1,3-thiazinium Hydroxides as Mesoionic 1,4-Dipoles

  摘要：

  The previously unknown 8H-anhydro-4-hydroxy-2-oxo-1,3-thiazinium hydroxides (1) were prepared and their 1,4-dipolar cycloaddition behavior was examined. In most cases, elimination of the proton in the 8-position of the mesoionic ring was observed to occur unless extremely reactive dipolarophiles were used. The S,N-ketene acetals were converted to the corresponding alpha-diazo ketones for further study.

  DOI：

  10.3987/com-93-s(b)16
• 作为产物：
  描述：

  3-甲基己内酰胺 在 劳森试剂 作用下， 以 甲苯 为溶剂， 反应 0.5h， 以96%的产率得到3-methylazepane-2-thione
  参考文献：
  名称：

  8H-Anhydro-4-hydroxy-2-oxo-1,3-thiazinium Hydroxides as Mesoionic 1,4-Dipoles

  摘要：

  The previously unknown 8H-anhydro-4-hydroxy-2-oxo-1,3-thiazinium hydroxides (1) were prepared and their 1,4-dipolar cycloaddition behavior was examined. In most cases, elimination of the proton in the 8-position of the mesoionic ring was observed to occur unless extremely reactive dipolarophiles were used. The S,N-ketene acetals were converted to the corresponding alpha-diazo ketones for further study.

  DOI：

  10.3987/com-93-s(b)16

文献信息

• 8H-Anhydro-4-hydroxy-2-oxo-1,3-thiazinium Hydroxides as Mesoionic 1,4-Dipoles
  作者：Albert Padwa、Steven J. Coats、Lazaros Hadjarapoglou

  DOI：10.3987/com-93-s(b)16

  日期：——

  The previously unknown 8H-anhydro-4-hydroxy-2-oxo-1,3-thiazinium hydroxides (1) were prepared and their 1,4-dipolar cycloaddition behavior was examined. In most cases, elimination of the proton in the 8-position of the mesoionic ring was observed to occur unless extremely reactive dipolarophiles were used. The S,N-ketene acetals were converted to the corresponding alpha-diazo ketones for further study.