1-nitro-2-p-tolylsulfonyl-1,2-diphenylethene | 137882-79-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1-nitro-2-p-tolylsulfonyl-1,2-diphenylethene
• 英文别名: 1,1'-[1-(4-Methylbenzene-1-sulfonyl)-2-nitroethene-1,2-diyl]dibenzene；1-methyl-4-(2-nitro-1,2-diphenylethenyl)sulfonylbenzene
• CAS: 137882-79-2
• 化学式: C₂₁H₁₇NO₄S
• 分子量: 379.436
• InChiKey: GLRHWOZNEUOCQR-UHFFFAOYSA-N

物化性质

• 沸点：
  545.6±50.0 °C(Predicted)
• 密度：
  1.288±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  88.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-nitro-2-p-tolylsulfonyl-1,2-diphenylethene 以 甲醇 为溶剂， 反应 2.08h， 生成 1,2-diphenyl-2-dodecylthio-1-nitroethene
  参考文献：
  名称：

  摘要：

  Reactions of 1-nitro-2-sulfonylalkenes with arenethiolates result in replacement of the sulfonyl group; the reactions with alkanethiolates are accompanied by subsequent addition of the reagent at the double bond to afford thioacetals. Less reactive alpha-nitro-beta-R-thiostyrenes with thiolates at reduced temperature form addition products which are converted into the corresponding substitution products on storage at room temperature, in keeping with the addition-elimination mechanism of nucleophilic vinyl substitution. Nitro(aryl-thio)- and nitro(heterylthio)alkenes react with alkanethiolates at room temperature, resulting in replacement of the arylthio (heterylthio) group by alkylthio.

  DOI：

  10.1023/a:1013119318658

文献信息

• Pavlova; Lipina; Kasem, Russian Journal of Organic Chemistry, 1999, vol. 35, # 9, p. 1321 - 1325
  作者：Pavlova、Lipina、Kasem、Kuz'mina

  DOI：——

  日期：——
• ——
  作者：N. V. Kuz'mina、E. S. Lipina、T. Yu. Kropotova、G. A. Berkova、Z. F. Pavlova

  DOI：10.1023/a:1013119318658

  日期：——

  Reactions of 1-nitro-2-sulfonylalkenes with arenethiolates result in replacement of the sulfonyl group; the reactions with alkanethiolates are accompanied by subsequent addition of the reagent at the double bond to afford thioacetals. Less reactive alpha-nitro-beta-R-thiostyrenes with thiolates at reduced temperature form addition products which are converted into the corresponding substitution products on storage at room temperature, in keeping with the addition-elimination mechanism of nucleophilic vinyl substitution. Nitro(aryl-thio)- and nitro(heterylthio)alkenes react with alkanethiolates at room temperature, resulting in replacement of the arylthio (heterylthio) group by alkylthio.