Ethyl 2-amino-6-(4-methoxyphenyl)-3-nitro-4-thiophen-2-ylbenzoate | 1476717-69-7

• 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-amino-6-(4-methoxyphenyl)-3-nitro-4-thiophen-2-ylbenzoate
• 英文别名: ethyl 2-amino-6-(4-methoxyphenyl)-3-nitro-4-thiophen-2-ylbenzoate
• CAS: 1476717-69-7
• 化学式: C₂₀H₁₈N₂O₅S
• 分子量: 398.439
• InChiKey: XUMJZIFOZGENCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  136
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-硝基乙烯基噻吩 、 2-cyano-3-(4-methoxy-phenyl)-crotonic acid ethyl ester 在 三乙烯二胺 作用下， 以 乙腈 为溶剂， 反应 4.0h， 以64%的产率得到Ethyl 2-amino-6-(4-methoxyphenyl)-3-nitro-4-thiophen-2-ylbenzoate
  参考文献：
  名称：

  DABCO-promoted one-pot synthesis of heteroaryl-substituted benzenes and their biological evaluation

  摘要：

  A simple and efficient one-pot synthesis of heteroaryl-substituted benzenes has been developed via cyclocondensation of vinylmalononitriles and ethylvinylcyanoacetates with heteroarylnitroolefines using diazabicyclo[2,2,2]octane as catalyst. The titled compounds were evaluated for their antitubercular, antibacterial and antifungal activities at various concentrations.

  DOI：

  10.1007/s00044-013-0857-0

文献信息

• DABCO-promoted one-pot synthesis of heteroaryl-substituted benzenes and their biological evaluation
  作者：G. Neelaiah Babu、Haile Micheal Ayalew、Shubha Jain

  DOI：10.1007/s00044-013-0857-0

  日期：2014.5

  A simple and efficient one-pot synthesis of heteroaryl-substituted benzenes has been developed via cyclocondensation of vinylmalononitriles and ethylvinylcyanoacetates with heteroarylnitroolefines using diazabicyclo[2,2,2]octane as catalyst. The titled compounds were evaluated for their antitubercular, antibacterial and antifungal activities at various concentrations.