2,2,5,5-Tetramethyl-1,6-diphenyl-7,8-dithiabicyclo[4.1.1]octane | 125611-60-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻庚烷
• 英文名称: 2,2,5,5-Tetramethyl-1,6-diphenyl-7,8-dithiabicyclo[4.1.1]octane
• 英文别名: 2,2,5,5-tetramethyl-1,6-diphenyl-7,8-dithiabicyclo[4.1.1]octane
• CAS: 125611-60-1
• 化学式: C₂₂H₂₆S₂
• 分子量: 354.58
• InChiKey: ZYILDLXRAZACRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 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：

  2,2,5,5-Tetramethyl-1,6-diphenyl-7,8-dithiabicyclo[4.1.1]octane 在 MeN⁽¹⁺⁾(C₈H₁₇)3Cl^(1-) 氢氧化钾 、 potassium sulfate 、 potassium hydrogensulfate 作用下， 以 二氯甲烷 、 水 为溶剂， 以10%的产率得到2,2,5,5-tetramethyl-1-oxo-1,6-diphenylhexane-6-thione
  参考文献：
  名称：

  Reaction of 1,3-dithietanes with 2KHSO5·KHSO4·K2SO4: Scope and limitation for the preparation of dithiirane derivatives

  摘要：

  The reaction of 5,6-dithiabicyclo[2.1.1]hexane derivatives with OXONE in a two-phase mixture of dichloromethane and water gave the corresponding dithiirane derivatives which were stable in solution. The formation of the dithiiranes were proved by UV-Vis spectra and chemical transformations. The reaction of 7,8-dithiabicyclo[4.1.1]octane derivatives with OXONE gave the corresponding cis-dithiirane oxides. The reaction of the head-to-tail dimer of 2-adamantanethione with OXONE gave 2-adamantanone as the sole detectable material.

  DOI：

  10.1016/0040-4039(95)00136-z
• 作为产物：
  描述：

  2,5-dicyano-2,5-dimethylhexane 在 三硫化硼 作用下， 以 乙醚 、 甲苯 、 苯 为溶剂， 反应 49.5h， 生成 2,2,5,5-Tetramethyl-1,6-diphenyl-7,8-dithiabicyclo[4.1.1]octane
  参考文献：
  名称：

  Sulfurization of nonenolizable diketones

  摘要：

  DOI：

  10.1021/jo00295a034

文献信息

• Sulfurization of nonenolizable diketones
  作者：Akihiko Ishii、Juzo Nakayama、Meng Xin Ding、Noboru Kotaka、Masamatsu Hoshino

  DOI：10.1021/jo00295a034

  日期：1990.4
• Reaction of 1,3-dithietanes with 2KHSO5·KHSO4·K2SO4: Scope and limitation for the preparation of dithiirane derivatives
  作者：Akihiko Ishii、Yi-Nan Jin、Hidenori Nagaya、Masamatsu Hoshino、Juzo Nakayama

  DOI：10.1016/0040-4039(95)00136-z

  日期：1995.3

  The reaction of 5,6-dithiabicyclo[2.1.1]hexane derivatives with OXONE in a two-phase mixture of dichloromethane and water gave the corresponding dithiirane derivatives which were stable in solution. The formation of the dithiiranes were proved by UV-Vis spectra and chemical transformations. The reaction of 7,8-dithiabicyclo[4.1.1]octane derivatives with OXONE gave the corresponding cis-dithiirane oxides. The reaction of the head-to-tail dimer of 2-adamantanethione with OXONE gave 2-adamantanone as the sole detectable material.