(E)-methyl 2-methyl-3-(4-(2-(3-phenylthioureido)phenoxy)phenyl)acrylate | 1596272-32-0

• 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: (E)-methyl 2-methyl-3-(4-(2-(3-phenylthioureido)phenoxy)phenyl)acrylate
• CAS: 1596272-32-0
• 化学式: C₂₄H₂₂N₂O₃S
• 分子量: 418.516
• InChiKey: YFIJOBPDDRAWIL-WUKNDPDISA-N

物化性质

• 沸点：
  540.7±60.0 °C(Predicted)
• 密度：
  1.285±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.86
• 重原子数：
  30.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  59.59
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-(2-氨基乙基)氨基-7-氯喹啉 、 (E)-methyl 2-methyl-3-(4-(2-(3-phenylthioureido)phenoxy)phenyl)acrylate 在 三乙胺 、 mercury dichloride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以88%的产率得到(E)-methyl 3-(4-(2-((E)-3-(2-(7-chloroquinolin-4-ylamino)ethyl)-2-phenylguanidino)phenoxy)phenyl)-2-methylacrylate
  参考文献：
  名称：

  Synthesis and evaluation of new diaryl ether and quinoline hybrids as potential antiplasmodial and antimicrobial agents

  摘要：

  Synthesis and bioevaluation of new diaryl ether hybridized quinoline derivatives as antiplasmodial, antibacterial and antifungal agents is reported. It was encouraging to discover that several compounds displayed 2-3 folds better efficacy than chloroquine in chloroquine-resistant K1 strain of Plasmodium falciparum. Further, a few members of the library displayed good antibacterial efficacy against gram positive strains of bacteria but none of the compounds displayed any significant antifungal activity. (c) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.02.044
• 作为产物：
  描述：

  对羟基苯甲醛 在 吡啶 、 三乙烯二胺 、 sodium tetrahydroborate 、 铁粉 、 potassium carbonate 、 溶剂黄146 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 76.99h， 生成 (E)-methyl 2-methyl-3-(4-(2-(3-phenylthioureido)phenoxy)phenyl)acrylate
  参考文献：
  名称：

  Synthesis and evaluation of new diaryl ether and quinoline hybrids as potential antiplasmodial and antimicrobial agents

  摘要：

  Synthesis and bioevaluation of new diaryl ether hybridized quinoline derivatives as antiplasmodial, antibacterial and antifungal agents is reported. It was encouraging to discover that several compounds displayed 2-3 folds better efficacy than chloroquine in chloroquine-resistant K1 strain of Plasmodium falciparum. Further, a few members of the library displayed good antibacterial efficacy against gram positive strains of bacteria but none of the compounds displayed any significant antifungal activity. (c) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.02.044