acetyl 3'-chloro-4'-oxospiro-3'-yl disulfide | 222728-00-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: acetyl 3'-chloro-4'-oxospiro-3'-yl disulfide
• 英文别名: S-(3-chloro-4-oxospiro[chromene-2,1'-cyclohexane]-3-yl)sulfanyl ethanethioate
• CAS: 222728-00-9
• 化学式: C₁₆H₁₇ClO₃S₂
• 分子量: 356.894
• InChiKey: QQFILBAIZYMEQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  94
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  acetyl 3'-chloro-4'-oxospiro-3'-yl disulfide 在 吗啉 作用下， 以 乙醚 为溶剂， 以30%的产率得到trans-tetraspirotrithiolate-5'',3'''-chroman-2''',1''''-cyclohexane>-4',4'''-dione
  参考文献：
  名称：

  New Reactions with Thiosulfines/Dithiiranes: Cycloadditions Leading to Dispiro Derivatives of 1,2,4-Trithiolane.

  摘要：

  The beta-oxo thiosulfines 8, generated by 'unzipping' of the corresponding acetyl alpha-chloroalkyl disulfides 11 with morpholine, are partially converted into the corresponding thioketones 12 which then cycloadd to 8 to give the observed cis-and trans-1,2,4-trithiolanes 15. The unsymmetrical Diels-Alder dimerization of 12 plays only a minor role. The new heterocycles thus obtained have been characterized spectroscopically and by X-ray crystallography.

  DOI：

  10.3891/acta.chem.scand.53-0133
• 作为产物：
  描述：

  螺[2H-1-苯并吡喃-2,1’-环己烷]-4(3H)-酮 在 氯化亚砜 作用下， 以 四氯化碳 为溶剂， 反应 6.0h， 生成 acetyl 3'-chloro-4'-oxospiro-3'-yl disulfide
  参考文献：
  名称：

  New Reactions with Thiosulfines/Dithiiranes: Cycloadditions Leading to Dispiro Derivatives of 1,2,4-Trithiolane.

  摘要：

  The beta-oxo thiosulfines 8, generated by 'unzipping' of the corresponding acetyl alpha-chloroalkyl disulfides 11 with morpholine, are partially converted into the corresponding thioketones 12 which then cycloadd to 8 to give the observed cis-and trans-1,2,4-trithiolanes 15. The unsymmetrical Diels-Alder dimerization of 12 plays only a minor role. The new heterocycles thus obtained have been characterized spectroscopically and by X-ray crystallography.

  DOI：

  10.3891/acta.chem.scand.53-0133