2-(3-oxo-1-phenyl-3-(thiophen-3-yl)propyl)cyclopentanone | 1574828-47-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(3-oxo-1-phenyl-3-(thiophen-3-yl)propyl)cyclopentanone
• CAS: 1574828-47-9
• 化学式: C₁₈H₁₈O₂S
• 分子量: 298.406
• InChiKey: IARGPFCBMSJREQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.47
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(3-oxo-1-phenyl-3-(thiophen-3-yl)propyl)cyclopentanone 在 ammonium acetate 、 溶剂黄146 作用下， 以92%的产率得到4-phenyl-2-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
  参考文献：
  名称：

  Synthesis and Characterization of Some Novel Multisubstituted 6,7-Dihydro-5H-cyclopenta[b]pyridine Derivatives

  摘要：

  In this study, we describe systematic preparation of a series of aryl-substituted pyridine derivatives. The 1,5-dicarbonyls (3a-i) were prepared in the solvent-free conditions starting from chalcone derivatives (1a-i). The target compounds, 4-aryl-2-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]-pyridine derivatives (5a-i), were synthesized by a cyclization reaction of the 1,5-dicarbonyls (3a-i) with ammonium acetate (NH4OAc) in acetic acid. The characterization of synthesized compounds was proved by elemental analyses, infrared, mass spectrometry, and H-1 and C-13 NMR spectroscopy. [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：

  10.1080/00397911.2013.840004
• 作为产物：
  描述：

  环戊酮 、 3-phenyl-1-(3-thienyl)-2-propen-1-one 在 苄基三乙基氯化铵 、 potassium hydroxide 作用下， 以85%的产率得到2-(3-oxo-1-phenyl-3-(thiophen-3-yl)propyl)cyclopentanone
  参考文献：
  名称：

  Synthesis and Characterization of Some Novel Multisubstituted 6,7-Dihydro-5H-cyclopenta[b]pyridine Derivatives

  摘要：

  In this study, we describe systematic preparation of a series of aryl-substituted pyridine derivatives. The 1,5-dicarbonyls (3a-i) were prepared in the solvent-free conditions starting from chalcone derivatives (1a-i). The target compounds, 4-aryl-2-(thiophen-3-yl)-6,7-dihydro-5H-cyclopenta[b]-pyridine derivatives (5a-i), were synthesized by a cyclization reaction of the 1,5-dicarbonyls (3a-i) with ammonium acetate (NH4OAc) in acetic acid. The characterization of synthesized compounds was proved by elemental analyses, infrared, mass spectrometry, and H-1 and C-13 NMR spectroscopy. [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：

  10.1080/00397911.2013.840004