Ethyl 4-cyano-3-(4-methoxyphenyl)-5-propan-2-ylsulfanylthiophene-2-carboxylate | 1421348-26-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: Ethyl 4-cyano-3-(4-methoxyphenyl)-5-propan-2-ylsulfanylthiophene-2-carboxylate
• 英文别名: ethyl 4-cyano-3-(4-methoxyphenyl)-5-propan-2-ylsulfanylthiophene-2-carboxylate
• CAS: 1421348-26-6
• 化学式: C₁₈H₁₉NO₃S₂
• 分子量: 361.486
• InChiKey: ABROZELOESXQIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  113
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-(bis(isopropylthio)methylene)malononitrile 在 四(三苯基膦)钯 、 亚硝酸特丁酯 、 potassium carbonate 、 copper(ll) bromide 作用下， 以 乙醇 、 甲苯 、 乙腈 为溶剂， 反应 23.17h， 生成 Ethyl 4-cyano-3-(4-methoxyphenyl)-5-propan-2-ylsulfanylthiophene-2-carboxylate
  参考文献：
  名称：

  New protein farnesyltransferase inhibitors in the 3-arylthiophene 2-carboxylic acid series: diversification of the aryl moiety by solid-phase synthesis

  摘要：

  A new synthetic pathway was devised to reach tetrasubstituted 3-arylthiophene 2-carboxylic acids in a three-step solid-phase synthesis. This very efficient methodology provided more than 20 new compounds that were evaluated for their ability to inhibit protein farnesyltransferase from different species as well as Trypanosoma brucei and Plasmodium falciparum proliferation.

  DOI：

  10.3109/14756366.2011.643302

文献信息

• New protein farnesyltransferase inhibitors in the 3-arylthiophene 2-carboxylic acid series: diversification of the aryl moiety by solid-phase synthesis
  作者：Sébastien Lethu、Damien Bosc、Elisabeth Mouray、Philippe Grellier、Joëlle Dubois

  DOI：10.3109/14756366.2011.643302

  日期：2013.2.1

  A new synthetic pathway was devised to reach tetrasubstituted 3-arylthiophene 2-carboxylic acids in a three-step solid-phase synthesis. This very efficient methodology provided more than 20 new compounds that were evaluated for their ability to inhibit protein farnesyltransferase from different species as well as Trypanosoma brucei and Plasmodium falciparum proliferation.