| 1420836-80-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1420836-80-1
• 化学式: C₁₈H₁₈FNO₃
• 分子量: 315.344
• InChiKey: ZQHAXXXEDWORIR-UHFFFAOYSA-N

物化性质

• 沸点：
  504.0±50.0 °C(predicted)
• 密度：
  1.212±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.88
• 重原子数：
  23.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  47.56
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  在 polyphosphoric acid 作用下， 反应 1.0h， 以19%的产率得到1-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-pyrrolidin-2-one
  参考文献：
  名称：

  Electrophilic intramolecular cyclization of functional derivatives of unsaturated compounds: V. Cyclization of anilides of styrylacetic acids in polyphosphoric acid

  摘要：

  Anilides of styrylacetic acids at heating in polyphosphoric acid undergo an intramolecular cyclization giving 1,5-diarylpyrrolidin-2-ones, 5-aryl-1,3,4,5-tetrahydro-2H-benzazepin-2-ones, and 5-(3-fluorophenyl) dihydrofuran-2(3H)-one, where the ratio of the products depends on the character of the aromatic substituents in the amide and styrene fragments of the substrate.

  DOI：

  10.1134/s1070428013080137

文献信息

• Intramolecular electrophilic cyclization of functional derivatives of unsaturated compounds: III. Reaction of N,4-Diarylbut-3-enamides with arenesulfenyl chlorides. Synthesis of 5-aryl-4-arylsulfanyl-2,3,4,5-tetrahydro-1H-1-benzazepin-2-ones
  作者：A. I. Vas’kevich、N. M. Tsyzoryk、V. I. Staninets、E. B. Rusanov、M. V. Vovk

  DOI：10.1134/s107042801212007x

  日期：2012.12

  N-Aryl-4-phenylbut-3-enamides reacted with arenesulfenyl chlorides in chloroform to give N,4-diaryl-3-arylsulfanyl-4-chlorobutanamides, whereas in acetic acid in the presence of lithium perchlorate N-[4-arylsulfanyl-5-phenyltetrahydrofuran-2-ylidene]arenaminium perchlorates were obtained. Reactions of arenesulfenyl chlorides with N,4-diarylbut-3-enamides having strong electron-donating groups in positions 3 and 4 of the N-aryl substituent afforded 5-aryl-4-arylsulfanyl-2,3,4,5-tetrahydro-1H-1-benzazepin-2-ones.