6-Amino-1,3-dimethyl-5-(2-nitro-1-thiophen-2-ylethyl)pyrimidine-2,4-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 6-Amino-1,3-dimethyl-5-(2-nitro-1-thiophen-2-ylethyl)pyrimidine-2,4-dione
• 化学式: C₁₂H₁₄N₄O₄S
• 分子量: 310.334
• InChiKey: OMHCUXIEWDJMPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  141
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-Amino-1,3-dimethyl-5-(2-nitro-1-thiophen-2-ylethyl)pyrimidine-2,4-dione 在 sodium dithionite 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 1.5h， 以53%的产率得到1,3-dimethyl-5-thiophen-2-yl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
  参考文献：
  名称：

  A one pot, two-step synthesis of 5-arylpyrrolo[2,3- d ]pyrimidines and screening of their preliminary antibacterial properties

  摘要：

  A one pot two step methodology for the synthesis of ten derivatives of 5-arylpyrrolo[2,3-d]pyrimidine has been reported. The methodology exploits the strong reducing nature of alkaline Na2S2O4 solution coupled with favorability of Michael type addition reaction in alkaline medium. The methodology demands attraction as it is non-catalytic, quite general for wide range of nitrostyrenes and possesses comprehensive advantages over most of the earlier methods in terms of reaction time as well as yield. The methodology enjoys additional advantage of utilizing cheaper and easily available chemicals as reagent for the purpose. Some of the synthesized compounds are found to possess remarkable activity against some of the tested bacterial strains. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.12.047
• 作为产物：
  描述：

  2-硝基乙烯基噻吩 、 1,3-二甲基-6-氨基脲嘧啶 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 1.5h， 以62%的产率得到6-Amino-1,3-dimethyl-5-(2-nitro-1-thiophen-2-ylethyl)pyrimidine-2,4-dione
  参考文献：
  名称：

  A one pot, two-step synthesis of 5-arylpyrrolo[2,3- d ]pyrimidines and screening of their preliminary antibacterial properties

  摘要：

  A one pot two step methodology for the synthesis of ten derivatives of 5-arylpyrrolo[2,3-d]pyrimidine has been reported. The methodology exploits the strong reducing nature of alkaline Na2S2O4 solution coupled with favorability of Michael type addition reaction in alkaline medium. The methodology demands attraction as it is non-catalytic, quite general for wide range of nitrostyrenes and possesses comprehensive advantages over most of the earlier methods in terms of reaction time as well as yield. The methodology enjoys additional advantage of utilizing cheaper and easily available chemicals as reagent for the purpose. Some of the synthesized compounds are found to possess remarkable activity against some of the tested bacterial strains. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.12.047