12,12-Dimethyl-13,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,6,9(21),14,16,18-octaen-8-one | 1299423-17-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 12,12-Dimethyl-13,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,6,9(21),14,16,18-octaen-8-one
• 英文别名: 12,12-dimethyl-13,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,6,9(21),14,16,18-octaen-8-one
• CAS: 1299423-17-8
• 化学式: C₂₁H₁₈N₂O
• 分子量: 314.387
• InChiKey: CFPZBLADXODVDH-UHFFFAOYSA-N

物化性质

• 熔点：
  231 °C
• 沸点：
  442.7±45.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  黄钟花醌 在 ferrous(II) sulfate heptahydrate 、 sodium acetate 、 溶剂黄146 作用下， 反应 14.0h， 生成 12,12-Dimethyl-13,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,6,9(21),14,16,18-octaen-8-one 、 7,8-dihydro-9,9-dimethyl-9H-pyrano[3',2':4]naphtha[1,2-b]quinoxaline
  参考文献：
  名称：

  Synthesis and characterisation of a new polycyclic phenazine from 1,4-naphthoquinone

  摘要：

  Bioactive naphthoquinone-derived heterocyclic compounds have been prepared. Herein, we describe the semisynthesis of a new phenazine, through modified Hooker's reaction, using lapachol as a precursor. This compound was characterised by 2D NMR spectroscopy methods and X-ray analysis. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.03.006

文献信息

• Synthesis and characterisation of a new polycyclic phenazine from 1,4-naphthoquinone
  作者：Matuzalém J. da Silva、Maria do Carmo F.R. Pinto、Carlos A. de Simone、Janaína G. Soares、José R. Machado Reys、José D. de Souza Filho、William T.A. Harrison、Carlos E.M. Carvalho、Marília O.F. Goulart、Eufrânio N. da Silva Júnior、Antonio V. Pinto

  DOI：10.1016/j.tetlet.2011.03.006

  日期：2011.5

  Bioactive naphthoquinone-derived heterocyclic compounds have been prepared. Herein, we describe the semisynthesis of a new phenazine, through modified Hooker's reaction, using lapachol as a precursor. This compound was characterised by 2D NMR spectroscopy methods and X-ray analysis. (C) 2011 Elsevier Ltd. All rights reserved.