dimethyl 5-ethyl-4,7-dimethyl-6-oxo-5-phenyl-5,6-dihydro-1H-indene-2,2(3H)-dicarboxylate | 1300749-48-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: dimethyl 5-ethyl-4,7-dimethyl-6-oxo-5-phenyl-5,6-dihydro-1H-indene-2,2(3H)-dicarboxylate
• 英文别名: Dimethyl 5-ethyl-4,7-dimethyl-6-oxo-5-phenyl-1,3-dihydroindene-2,2-dicarboxylate；dimethyl 5-ethyl-4,7-dimethyl-6-oxo-5-phenyl-1,3-dihydroindene-2,2-dicarboxylate
• CAS: 1300749-48-7
• 化学式: C₂₃H₂₆O₅
• 分子量: 382.456
• InChiKey: LRZFCTGJZQVVAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-苯基-1-丁烯-1-酮 、 dimethyl 2,2-di(but-2-yn-1-yl)malonate 在 bis(1,5-cyclooctadiene)nickel (0) 、 1,4-双(二苯基膦)丁烷 作用下， 以 甲苯 为溶剂， 反应 5.0h， 以82%的产率得到dimethyl 5-ethyl-4,7-dimethyl-6-oxo-5-phenyl-5,6-dihydro-1H-indene-2,2(3H)-dicarboxylate
  参考文献：
  名称：

  Ni-Catalyzed Ketene Cycloaddition: A System That Resists the Formation of Decarbonylation Side Products

  摘要：

  Ni-phosphine complexes were used as catalysts for the cycloaddition of various ketenes and diynes. In general, 2,4-cyclohexadienones were formed instead of products arising from decarbonylation of the ketenes.

  DOI：

  10.1021/ja2007627

文献信息

• Ni-Catalyzed Ketene Cycloaddition: A System That Resists the Formation of Decarbonylation Side Products
  作者：Puneet Kumar、Dawn M. Troast、Rodrigo Cella、Janis Louie

  DOI：10.1021/ja2007627

  日期：2011.5.25

  Ni-phosphine complexes were used as catalysts for the cycloaddition of various ketenes and diynes. In general, 2,4-cyclohexadienones were formed instead of products arising from decarbonylation of the ketenes.