ethyl 2-p-nitrophenylsulfonylamino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate | 63183-27-7

• 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: ethyl 2-p-nitrophenylsulfonylamino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
• 英文别名: 2-(4-nitro-benzenesulfonylamino)-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid ethyl ester；ethyl 2-[(4-nitrophenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
• CAS: 63183-27-7
• 化学式: C₁₇H₁₈N₂O₆S₂
• mdl: MFCD00294955
• 分子量: 410.472
• InChiKey: ISEHDJOJUJWUIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  155
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  ethyl 2-p-nitrophenylsulfonylamino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 以55.2 %的产率得到2-((4-nitrophenyl)sulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
  参考文献：
  名称：

  Discovery of novel tetrahydrobenzothiophene derivatives as MSBA inhibitors for antimicrobial agents

  摘要：

  DOI：

  10.1016/j.bioorg.2023.106932
• 作为产物：
  描述：

  环己酮 在 吗啉 、 1,2,3,4,5,6,7,8-八硫杂环辛烷 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 ethyl 2-p-nitrophenylsulfonylamino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
  参考文献：
  名称：

  Discovery of novel tetrahydrobenzothiophene derivatives as MSBA inhibitors for antimicrobial agents

  摘要：

  DOI：

  10.1016/j.bioorg.2023.106932

文献信息

• Physicochemical properties and complex formation of ethyl 2-aryl(methyl)sulfonylamino-4,5,6,7-tetrahydrobenzothiophene-3-carboxylates
  作者：L. G. Chekanova、K. O. Manylova、P. T. Pavlov、Yu. B. El’chishcheva、A. S. Kandakova

  DOI：10.1134/s1070363214060243

  日期：2014.6
• Complexation of ethyl 2-aryl(alkyl)sulfonylamino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylates with nonferrous metal ions
  作者：L. G. Chekanova、K. O. Manylova、P. T. Pavlov、E. V. Baigacheva、T. G. Tiunova

  DOI：10.1134/s003602361504004x

  日期：2015.4

  Complexation of sulfonyl derivatives of the Gewald thiophenes (SGT) with Cu(II), Co(II), Ni(II), Zn(II), and Cd(II) ions in ammonia solutions was studied. The molar ratio method, the Job's method of continuous variation, and coductometric titration revealed ratios [M(II)]: [SGT] = 1: 2. The composition of preparatively isolated complexes was confirmed by IR spectroscopy and elemental analysis data. Solubility product constants for precipitates of the complexes and complexation equilibrium constants were calculated. Solubility product constants for M(II) complexes was shown to be dependent on the nature of sulfonyl substituent in SGT series.
• Discovery of novel tetrahydrobenzothiophene derivatives as MSBA inhibitors for antimicrobial agents
  作者：Shuchen Pei、Lin Lai、Wanlin Sun、Zhaoyang Lu、Jielei Hao、Yuheng Liu、Wen Wu、Shan Guan、Xiaoyan Su

  DOI：10.1016/j.bioorg.2023.106932

  日期：2024.1