diethyl 2-(3-oxo-1,3-di(thiophen-2-yl)propyl)malonate | 1586789-86-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: diethyl 2-(3-oxo-1,3-di(thiophen-2-yl)propyl)malonate
• 英文别名: Diethyl 2-(3-oxo-1,3-dithiophen-2-ylpropyl)propanedioate
• CAS: 1586789-86-7
• 化学式: C₁₈H₂₀O₅S₂
• 分子量: 380.486
• InChiKey: QKTNOGVUGQUXNQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  25
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  126
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  diethyl 2-(3-oxo-1,3-di(thiophen-2-yl)propyl)malonate 在 ammonium acetate 、 溶剂黄146 作用下， 以 甲苯 为溶剂， 反应 16.0h， 以85%的产率得到rel-(3R,4S)-ethyl 2-oxo-4,6-di(thiophen-2-yl)-1,2,3,4-tetrahydropyridine-3-carboxylate
  参考文献：
  名称：

  Synthesis, Characterization, and Antibacterial Activity of Novel Pyridones

  摘要：

  Novel ethyl 2-oxo-4,6-diaryl-1,2,3,4-tetrahydropyridine-3-carboxylate and 4,6-diaryl-3,4-dihydropyridine-2(1H)-one derivatives have been synthesized from the cyclization of adducts of diethylmalonate to chalcones with ammonium acetate. The structures were established on the basis of extensive spectroscopic methods and further confirmed by X-ray crystallographic analysis. Antibacterial activity of obtained pyridones was investigated against four human pathogen microorganisms and the compounds showed poor activity.[Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]

  DOI：

  10.1080/00397911.2013.845902
• 作为产物：
  描述：

  2-噻吩甲醛 在 potassium tert-butylate 、 苄基三乙基氯化铵 、 sodium hydroxide 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 diethyl 2-(3-oxo-1,3-di(thiophen-2-yl)propyl)malonate
  参考文献：
  名称：

  Synthesis, Characterization, and Antibacterial Activity of Novel Pyridones

  摘要：

  Novel ethyl 2-oxo-4,6-diaryl-1,2,3,4-tetrahydropyridine-3-carboxylate and 4,6-diaryl-3,4-dihydropyridine-2(1H)-one derivatives have been synthesized from the cyclization of adducts of diethylmalonate to chalcones with ammonium acetate. The structures were established on the basis of extensive spectroscopic methods and further confirmed by X-ray crystallographic analysis. Antibacterial activity of obtained pyridones was investigated against four human pathogen microorganisms and the compounds showed poor activity.[Supplementary materials are available for this article. Go to the publisher's online edition of Synthetic Communications (R) for the following free supplemental resource(s): Full experimental and spectral details.]

  DOI：

  10.1080/00397911.2013.845902