4-[(2-ethylbutanoyl)amino]benzenesulfonic acid

• 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: 4-[(2-ethylbutanoyl)amino]benzenesulfonic acid
• 英文别名: 4-(2-Ethylbutanoylamino)benzenesulfonic acid；4-(2-ethylbutanoylamino)benzenesulfonic acid
• 化学式: C₁₂H₁₇NO₄S
• 分子量: 271.337
• InChiKey: BOLQKMGSVIFCGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  91.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-乙基丁酰氯 、 对氨基苯磺酸 在 三乙胺 作用下， 以 乙酸乙酯 为溶剂， 以98%的产率得到4-[(2-ethylbutanoyl)amino]benzenesulfonic acid
  参考文献：
  名称：

  Efficient Synthesis of Readily Water-Soluble Amides Containing Sulfonic Groups

  摘要：

  A series of various readily water-soluble amides were synthesized by different procedures. These compounds are useful chemical tracers for assessing the cooling progress in a georeservoir during geothermal power plant operation. Acylation of primary amines was carried out by basically employing the Schotten-Baumann method. As a second method a single-phase solvent system consisting of ethyl acetate as an organic solvent and triethylamine as a catalyst was used. Products were characterized by H-1 NMR and C-13 NMR. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]

  DOI：

  10.1080/00397911.2013.794900

文献信息

• Efficient Synthesis of Readily Water-Soluble Amides Containing Sulfonic Groups
  作者：Krzysztof R. Idzik、Karsten Nödler、Tobias Licha

  DOI：10.1080/00397911.2013.794900

  日期：2014.1.2

  A series of various readily water-soluble amides were synthesized by different procedures. These compounds are useful chemical tracers for assessing the cooling progress in a georeservoir during geothermal power plant operation. Acylation of primary amines was carried out by basically employing the Schotten-Baumann method. As a second method a single-phase solvent system consisting of ethyl acetate as an organic solvent and triethylamine as a catalyst was used. Products were characterized by H-1 NMR and C-13 NMR. [Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]