2-(3,4-dimethoxyphenyl)-3-oxo-3-(o-tolyl)propanenitrile | 1369597-20-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 2-(3,4-dimethoxyphenyl)-3-oxo-3-(o-tolyl)propanenitrile
• 英文别名: 2-(3,4-Dimethoxyphenyl)-3-(2-methylphenyl)-3-oxopropanenitrile
• CAS: 1369597-20-5
• 化学式: C₁₈H₁₇NO₃
• 分子量: 295.338
• InChiKey: YHFZURALZYOZIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  59.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(3,4-dimethoxyphenyl)-3-oxo-3-(o-tolyl)propanenitrile 在 sodium acetate 、 potassium hexacyanoferrate(III) 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 12.0h， 以69%的产率得到1-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-phenyl-1H-indene-1,3-dicarbonitrile
  参考文献：
  名称：

  Synthesis of Functionalized Fluorescent Indenes from Electron-Rich α-Aryl Ketonitriles

  摘要：

  A series of functionalized indenes bearing 1,3-dicyano groups were synthesized from electron-rich alpha-aryl ketonitriles in the presence of K3Fe(CN)(6) and NaOAc, possibly through tandem process involving dimerization, heterolytic cleavage of carbon-carbon bond, intermolecular coupling, and the subsequent intramolecular cyclization. The 2-arylindene compounds obtained possess good fluorescent properties.

  DOI：

  10.1021/jo300367q

文献信息

• Synthesis of Functionalized Fluorescent Indenes from Electron-Rich α-Aryl Ketonitriles
  作者：Le Liu、Yanfeng Fan、Qiaoqiao He、Yun Zhang、Daisy Zhang-Negrerie、Jianhui Huang、Yunfei Du、Kang Zhao

  DOI：10.1021/jo300367q

  日期：2012.4.20

  A series of functionalized indenes bearing 1,3-dicyano groups were synthesized from electron-rich alpha-aryl ketonitriles in the presence of K3Fe(CN)(6) and NaOAc, possibly through tandem process involving dimerization, heterolytic cleavage of carbon-carbon bond, intermolecular coupling, and the subsequent intramolecular cyclization. The 2-arylindene compounds obtained possess good fluorescent properties.