2,2,3-trimethyl-1-phenyl-3-(3-phenyldithiiran-3-yl)butan-1-one | 167321-42-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2,3-trimethyl-1-phenyl-3-(3-phenyldithiiran-3-yl)butan-1-one
• CAS: 167321-42-8
• 化学式: C₂₀H₂₂OS₂
• 分子量: 342.526
• InChiKey: KNOPMLACPLWXBO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.17
• 重原子数：
  23.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2,2,3-trimethyl-1-phenyl-3-(3-phenyldithiiran-3-yl)butan-1-one 在 MeN⁽¹⁺⁾(C₈H₁₇)3Cl^(1-) 三乙胺 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 2,2,3,3-Tetramethyl-1,4-diphenyl-4-thioxo-butan-1-one
  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：

  1,4-diphenyl-2,2,3,3-tetramethyl-5,6-dithiabicyclo<2.1.1>hexane 在 MeN⁽¹⁺⁾(C₈H₁₇)3Cl^(1-) 氢氧化钾 、 potassium sulfate 、 potassium hydrogensulfate 、 oxone 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 11.0h， 以11%的产率得到2,2,3-trimethyl-1-phenyl-3-(3-phenyldithiiran-3-yl)butan-1-one
  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