ethyl 1-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-2-oxocyclopentanecarboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: ethyl 1-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-2-oxocyclopentanecarboxylate
• 英文别名: ethyl 1-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-2-oxocyclopentane-1-carboxylate
• 化学式: C₂₅H₃₄O₆
• 分子量: 430.541
• InChiKey: WRAZULSPEOLVKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6-溴藜芦醛 在 bis-triphenylphosphine-palladium(II) chloride 、 bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate copper(l) iodide 、 三乙胺 作用下， 以 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 27.0h， 生成 ethyl 1-(3-hexyl-6,7-dimethoxy-1H-isochromen-1-yl)-2-oxocyclopentanecarboxylate
  参考文献：
  名称：

  Discovery of Chemical Reactions through Multidimensional Screening

  摘要：

  Multidimensional reaction screening of ortho-alkynyl benzaldehydes with a variety of catalysts and reaction partners was conducted in an effort to identify new chemical reactions. Reactions affording unique products were selected for investigation of preliminary scope and limitations.

  DOI：

  10.1021/ja0674744

文献信息

• Discovery of Chemical Reactions through Multidimensional Screening
  作者：Aaron B. Beeler、Shun Su、Chris A. Singleton、John A. Porco

  DOI：10.1021/ja0674744

  日期：2007.2.1

  Multidimensional reaction screening of ortho-alkynyl benzaldehydes with a variety of catalysts and reaction partners was conducted in an effort to identify new chemical reactions. Reactions affording unique products were selected for investigation of preliminary scope and limitations.