(2E)-3-(2-chloroquinolin-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one | 1026866-97-6

• 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: (2E)-3-(2-chloroquinolin-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
• 英文别名: (2e)-3-(2-Chloroquinolin-3-yl)-1-(3,4,5-trimethoxyphenyl)-prop-2-en-1-one；(E)-3-(2-chloroquinolin-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
• CAS: 1026866-97-6
• 化学式: C₂₁H₁₈ClNO₄
• 分子量: 383.831
• InChiKey: AQVLQRNXLCOHBP-CMDGGOBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  57.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氯-3-喹啉甲醛 、 3',4',5'-三甲氧基苯乙酮 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 24.5h， 以74%的产率得到(2E)-3-(2-chloroquinolin-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
  参考文献：
  名称：

  Synthesis and characterization of pyrido[1,2-a]quinoline palladacycles

  摘要：

  Palladacycles of pyrido[1,2-a]quinoline complexes were synthesized via a one pot reaction of quinolines with XyNC (Xy = 2,6-Me 2C6H3) in the presence of Pd(dba)(2) (4:1). These palladacycles were also obtained via reaction of quinolines with Pd(dba)(2) in the presence of PPh (3) (1:2) in acetone to give the intermediate complexes of dinuclear palladaphosphaquinoline complexes. Dinuclear complexes were converted into palladacycles via reaction with XyNC in CH2Cl2. The crystal structure of the dinuclear palladium complex was determined by X-ray diffraction studies.

  DOI：

  10.1007/s00706-008-0932-2

文献信息

• Synthesis and characterization of pyrido[1,2-a]quinoline palladacycles
  作者：Abdel-Sattar S. Hamad Elgazwy

  DOI：10.1007/s00706-008-0932-2

  日期：2008.11

  Palladacycles of pyrido[1,2-a]quinoline complexes were synthesized via a one pot reaction of quinolines with XyNC (Xy = 2,6-Me 2C6H3) in the presence of Pd(dba)(2) (4:1). These palladacycles were also obtained via reaction of quinolines with Pd(dba)(2) in the presence of PPh (3) (1:2) in acetone to give the intermediate complexes of dinuclear palladaphosphaquinoline complexes. Dinuclear complexes were converted into palladacycles via reaction with XyNC in CH2Cl2. The crystal structure of the dinuclear palladium complex was determined by X-ray diffraction studies.