(E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(3-methoxyphenyl)prop-2-en-1-one | 1246459-62-0

• 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: (E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
• 英文别名: 1-(6-Chloro-2-methyl-4-phenylquinolin-3-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
• CAS: 1246459-62-0
• 化学式: C₂₆H₂₀ClNO₂
• 分子量: 413.903
• InChiKey: YLVHOOCSJLAVMJ-SDNWHVSQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  6-氯-3-乙酰基-2-甲基-4-苯基-喹啉 、 3-甲氧基苯甲醛 在 aluminum oxide 作用下， 反应 0.07h， 以77%的产率得到(E)-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
  参考文献：
  名称：

  高效微波辅助的6-氯-3-（3-芳基丙烯酰基）-2-甲基-4-苯基喹啉的生态合成及其转化为6-氯-3-（1-苯基-5-芳基-4,5） -二氢-1H-吡唑-3-基）-2-甲基-4-苯基喹啉

  摘要：

  通过微波辅助方法已经开发了一种环保的碱性氧化铝催化方案，用于合成一些新的喹啉基查耳酮。

  DOI：

  10.1002/jccs.201100162

文献信息

• An Efficient Microwave Assisted Eco-friendly Synthesis of 6-Chloro-3-(3-arylacryloyl)-2-methyl-4-phenylquinolines and their Conversion to 6-Chloro-3-(1-phenyl-5-aryl-4,5-dihydro-1H-pyrazol- 3-yl)-2-methyl-4-phenylquinolines
  作者：S. Sarveswari、V. Vijayakumar

  DOI：10.1002/jccs.201100162

  日期：2012.1

  An eco‐friendly basic alumina catalyzed protocol for the synthesis of some new quinolinyl chalcones has been developed by microwave assisted methods which in turn are converted to pyrazoline derivatives.

  通过微波辅助方法已经开发了一种环保的碱性氧化铝催化方案，用于合成一些新的喹啉基查耳酮。
• Synthesis, characterization of (3E)-1-(6-chloro-2-methyl-4-phenyl quinolin-3-Yl)-3-aryl prop-2-en-1-ones through IR, NMR, single crystal X-ray diffraction and insights into their electronic structure using DFT calculations
  作者：S. Sarveswari、A. Srikanth、N. Arul Murugan、V. Vijayakumar、Jerry P. Jasinski、Hanna C. Beauchesne、Ethan E. Jarvis

  DOI：10.1016/j.saa.2014.09.124

  日期：2015.2

  3E-1-(6-Chloro-2-methyl-4-phenylquinolin-3-yl)-3-arylprop-2-en-1-ones were synthesized and characterized by FTIR, H-1 NMR, C-13 NMR, HSQC, DEPT-135. In addition the compound 3E-1-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one was subjected to the single crystal X-ray diffraction studies. Density functional theory calculations were carried out for this chalcone and its derivatives to investigate into their electronic structure, chemical reactivity, linear and non-linear optical properties. The structure predicted from DFT for chalcone is in good agreement with the structure from XRD measurement. (C) 2014 Elsevier B.V. All rights reserved.