N-(3,7,7-trimethyl-5-oxo-2-(4-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydroquinolin-1(2H)-yl)benzamide | 1564277-40-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: N-(3,7,7-trimethyl-5-oxo-2-(4-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydroquinolin-1(2H)-yl)benzamide
• CAS: 1564277-40-2
• 化学式: C₂₆H₂₅F₃N₂O₂
• 分子量: 454.492
• InChiKey: DTWMXWFITYVHEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.0
• 重原子数：
  33.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  49.41
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  苯甲酰肼 在 溶剂黄146 、 ethylenediamine Tetraacetic Acid 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.13h， 生成 N-(3,7,7-trimethyl-5-oxo-2-(4-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydroquinolin-1(2H)-yl)benzamide
  参考文献：
  名称：

  Microwave-Irradiated Synthesis of 1,2-Dihydropyridines from N-Functionalized Enaminones and Enals through Domino Condensation and 6π-Azaelectrocyclization

  摘要：

  N-Amino-substituted 1,2-dihydropyridine motifs are constructed using cyclohexane-1,3-diones via the Knoevenagel condensation with enals followed by 6 pi-electrocyclization using ethylenediammonium diacetate as a catalyst under MW irradiation. A survey of substituents on the N atom of the enaminones indicated that the phenylamino and benzoylamino groups are favorable for the reaction, while phenyl, benzyl, and no-substituent are not. The substituent at C2 of enals is crucial for smooth formation of the corresponding adducts and slightly higher yields are obtained with enals bearing an electron-withdrawing aromatic at C3.

  DOI：

  10.3987/com-13-12844