3,6-Diphenyl-2-(toluene-4-sulfonyl)-3,6-dihydro-2H-[1,2,3]oxadiazine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,6-Diphenyl-2-(toluene-4-sulfonyl)-3,6-dihydro-2H-[1,2,3]oxadiazine
• 英文别名: 2-(4-methylphenyl)sulfonyl-3,6-diphenyl-6H-oxadiazine
• 化学式: C₂₂H₂₀N₂O₃S
• 分子量: 392.478
• InChiKey: BJUNFDNRZYXLOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  58.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (Z)-N,3-diphenylprop-2-en-1-imine 、 4-methylbenzene-sulfonyloxygen imine 以 1,4-二氧六环 为溶剂， 反应 3.0h， 生成 3,6-Diphenyl-2-(toluene-4-sulfonyl)-3,6-dihydro-2H-[1,2,3]oxadiazine
  参考文献：
  名称：

  Studies in 1-Aza-1,3-butadienes: Diels-Alder Cycloaddition Reactions of 1,4-Diaryl-1-aza-1,3-butadienes with Aryl Sulphonyl Nitrosites Leading to the Synthesis of New Oxadiazines

  摘要：

  1,4-Diaryl-1-aza-1,3-butadienes (I) undergo a stereospecific 1,4-cycloaddition reaction with aryl sulphonyl nitrosites (II) generated 'in situ' by the reaction of aryl sulphinic acid and ethyl nitrite to yield six-membered cycloadducts characterized as 2-aryl sulphonyl-3,6-diaryl-2H,3H,6H-[1,2,3] oxadiazine derivatives(III) in good yield.

  DOI：

  10.1080/00397919308020408

文献信息

• Studies in 1-Aza-1,3-butadienes: Diels-Alder Cycloaddition Reactions of 1,4-Diaryl-1-aza-1,3-butadienes with Aryl Sulphonyl Nitrosites Leading to the Synthesis of New Oxadiazines
  作者：Kewal Krishan Singal、Baldev Singh、Baldev Raj

  DOI：10.1080/00397919308020408

  日期：1993.1

  1,4-Diaryl-1-aza-1,3-butadienes (I) undergo a stereospecific 1,4-cycloaddition reaction with aryl sulphonyl nitrosites (II) generated 'in situ' by the reaction of aryl sulphinic acid and ethyl nitrite to yield six-membered cycloadducts characterized as 2-aryl sulphonyl-3,6-diaryl-2H,3H,6H-[1,2,3] oxadiazine derivatives(III) in good yield.