14-(4-N,N-dimethylaminophenyl)-14H-7-oxa-benzo[a]naphthacene-8,13-dione | 1372628-86-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 14-(4-N,N-dimethylaminophenyl)-14H-7-oxa-benzo[a]naphthacene-8,13-dione
• 英文别名: 2-[4-(Dimethylamino)phenyl]-13-oxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4,6,8,10,16,18,20-nonaene-15,22-dione
• CAS: 1372628-86-8
• 化学式: C₂₉H₂₁NO₃
• 分子量: 431.491
• InChiKey: CCRGLLHKOPQQBP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  33
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-羟基-1,4-萘醌 、 对二甲氨基苯甲醛 、 2-萘酚 在 溶剂黄146 作用下， 反应 5.0h， 以90%的产率得到14-(4-N,N-dimethylaminophenyl)-14H-7-oxa-benzo[a]naphthacene-8,13-dione
  参考文献：
  名称：

  Facile, One-Pot, Three-Component Synthesis of Benzo[a]naphthacene-8,13-diones

  摘要：

  One-pot synthesis of 14-aryl-14H-7-oxa-benzo[a]naphthacene-8,13-diones was developed by the reaction of 2-hydroxynaphthalene-1,4-dione, aromatic aldehydes, and 2-naphthol in the presence of acetic acid. The structures of these compounds were identified by elemental analyses, infrared, H-1 NMR, and mass.

  DOI：

  10.1080/00397911.2010.524961

文献信息

• Facile, One-Pot, Three-Component Synthesis of Benzo[<i>a</i>]naphthacene-8,13-diones
  作者：Vakiti Srinivas、Vedula Rajeswar Rao

  DOI：10.1080/00397911.2010.524961

  日期：2012.2.1

  One-pot synthesis of 14-aryl-14H-7-oxa-benzo[a]naphthacene-8,13-diones was developed by the reaction of 2-hydroxynaphthalene-1,4-dione, aromatic aldehydes, and 2-naphthol in the presence of acetic acid. The structures of these compounds were identified by elemental analyses, infrared, H-1 NMR, and mass.