3-(4-methoxyphenyl)dibenzo[a,k]phenanthridin-4(3H)-one | 1247017-99-7

• 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: 3-(4-methoxyphenyl)dibenzo[a,k]phenanthridin-4(3H)-one
• 英文别名: 12-(4-Methoxyphenyl)-12-azapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaen-13-one
• CAS: 1247017-99-7
• 化学式: C₂₈H₁₉NO₂
• 分子量: 401.464
• InChiKey: OXUABGNBPFVNKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-bromo-N-(4-methoxyphenyl)-2-naphthamide 在 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以51%的产率得到3-(4-methoxyphenyl)dibenzo[a,k]phenanthridin-4(3H)-one
  参考文献：
  名称：

  Synthesis of Axially Chiral Amino Acid and Amino Alcohols via Additive−Ligand-Free Pd-Catalyzed Domino Coupling Reaction and Subsequent Transformations of the Product Amidoaza[5]helicene

  摘要：

  Novel optically active axially chiral amino acid and amino acid and amino alcohols have been synthesized efficiently via lactam ring-opening, with the aid of an optically active alcohol amidoaza[5]helicene 5, which has been readily prepared by an additive-ligand-free Pd catalyzed domino coupling reaction in a single step. The stereostructures of these chiral molecules have also been clarified.

  DOI：

  10.1021/jo101524t

文献信息

• Synthesis of Axially Chiral Amino Acid and Amino Alcohols via Additive−Ligand-Free Pd-Catalyzed Domino Coupling Reaction and Subsequent Transformations of the Product Amidoaza[5]helicene
  作者：Takumi Furuta、Junya Yamamoto、Yuki Kitamura、Ayano Hashimoto、Hyuma Masu、Isao Azumaya、Toshiyuki Kan、Takeo Kawabata

  DOI：10.1021/jo101524t

  日期：2010.10.15

  Novel optically active axially chiral amino acid and amino acid and amino alcohols have been synthesized efficiently via lactam ring-opening, with the aid of an optically active alcohol amidoaza[5]helicene 5, which has been readily prepared by an additive-ligand-free Pd catalyzed domino coupling reaction in a single step. The stereostructures of these chiral molecules have also been clarified.