1-methyl-2-((2-nitrophenyl)sulfonyl)benzene | 61174-13-8

• 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: 1-methyl-2-((2-nitrophenyl)sulfonyl)benzene
• 英文别名: (2-nitro-phenyl)-o-tolyl sulfone；(2-Nitro-phenyl)-o-tolyl-sulfon；<2-Nitro-phenyl>--sulfon；<2-Nitro-phenyl>-sulfon；2-Methylphenyl-2-nitrophenyl-sulfon；2-Nitrophenyl-2-tolylsulfon；Benzene, 1-methyl-2-[(2-nitrophenyl)sulfonyl]-；1-methyl-2-(2-nitrophenyl)sulfonylbenzene
• CAS: 61174-13-8
• 化学式: C₁₃H₁₁NO₄S
• 分子量: 277.301
• InChiKey: OONLTABXRORWAV-UHFFFAOYSA-N

物化性质

• 熔点：
  144-145 °C
• 沸点：
  473.4±38.0 °C(Predicted)
• 密度：
  1.346±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 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-methyl-2-((2-nitrophenyl)sulfonyl)benzene 在 盐酸 、 铁粉 作用下， 生成
  参考文献：
  名称：

  Cadogan,J.I.G. et al., Journal of the Chemical Society. Perkin transactions I, 1976, p. 1749 - 1757

  摘要：

  DOI：
• 作为产物：
  描述：

  2-巯基甲苯 在 氢氧化钾 、 双氧水 作用下， 以 乙醇 、 溶剂黄146 为溶剂， 生成 1-methyl-2-((2-nitrophenyl)sulfonyl)benzene
  参考文献：
  名称：

  Conformational investigation of diarylsulphones by Kerr effect and dipole moment methods

  摘要：

  Molar Kerr constants and electric dipole moments are reported for (C6H5)2SO2, (4-Cl-C6H4) (C6H5)SO2, (2,4,6-Me3C6H2) (4'-BrC6H4)SO2, (4-NO2C6H4)2SO2, (4-MeOC6H4) (4'-NO2C6H4)SO2, (2-MeOC6H4) (4'-NO2C6H4)SO2, (2-NO2C6H4) (4'-MeOC6H4)SO2 and (2-MeOC6H4) (2'-NO2C6H4)SO2 as solutes in dioxane solution at 298 K. The data are analysed in terms of the preferred conformations adopted in solution. In most cases these data are consistent with the presence, in dioxane, of orthogonal or planar-orthogonal conformers, or of a mixture of them. In the orthogonal rotamer both aromatic rings are approximately perpendicular to the C(Ar-) S-C(Ar) molecular reference plane whereas in the planar-orthogonal conformer one ring is coplanar and the other is orthogonal to the reference C(Ar)-S-C(Ar) plane.

  DOI：

  10.1016/0022-2860(91)85080-m

文献信息

• Silver-Promoted Decarboxylative Sulfonylation of Aromatic Carboxylic Acids with Sodium Sulfinates
  作者：Yongqi Yu、Qianlong Wu、Da Liu、Lin Yu、Ze Tan、Gangguo Zhu

  DOI：10.1021/acs.joc.9b01333

  日期：2019.9.6

  A novel and efficient synthesis of sulfones was developed via a silver-promoted decarboxylative sulfonylation reaction between aromatic carboxylic acids and sodium sulfinates for the first time. The approach features operational simplicity and good functional group compatibility and uses readily available starting materials. Furthermore, mechanistic studies reveal that the decarboxylative sulfonylation

  首次通过芳香族羧酸与亚磺酸钠之间的银促进的脱羧磺酰化反应，开发了一种新颖，有效的砜合成方法。该方法具有操作简单和良好的功能组兼容性的特点，并使用了容易获得的起始材料。此外，机理研究表明，脱羧磺酰化反应可能通过自由基机理进行。
• Some Basically Substituted Diaryl Sulfides and Sulfones
  作者：Henry Gilman、H. Smith Broadbent

  DOI：10.1021/ja01200a069

  日期：1947.8
• Cadogan,J.I.G. et al., Journal of the Chemical Society. Perkin transactions I, 1976, p. 1749 - 1757
  作者：Cadogan,J.I.G. et al.

  DOI：——

  日期：——
• Conformational investigation of diarylsulphones by Kerr effect and dipole moment methods
  作者：S.B. Bulgarevich、D.Ya. Movshovich、N.A. Ivanova、S.E. Filippov、P. Finocchiaro、S. Failla

  DOI：10.1016/0022-2860(91)85080-m

  日期：1991.9

  Molar Kerr constants and electric dipole moments are reported for (C6H5)2SO2, (4-Cl-C6H4) (C6H5)SO2, (2,4,6-Me3C6H2) (4'-BrC6H4)SO2, (4-NO2C6H4)2SO2, (4-MeOC6H4) (4'-NO2C6H4)SO2, (2-MeOC6H4) (4'-NO2C6H4)SO2, (2-NO2C6H4) (4'-MeOC6H4)SO2 and (2-MeOC6H4) (2'-NO2C6H4)SO2 as solutes in dioxane solution at 298 K. The data are analysed in terms of the preferred conformations adopted in solution. In most cases these data are consistent with the presence, in dioxane, of orthogonal or planar-orthogonal conformers, or of a mixture of them. In the orthogonal rotamer both aromatic rings are approximately perpendicular to the C(Ar-) S-C(Ar) molecular reference plane whereas in the planar-orthogonal conformer one ring is coplanar and the other is orthogonal to the reference C(Ar)-S-C(Ar) plane.