(1α,2β,5β,6α,17α,18β,21β,22α)-8,15,24.31-tetraaza-1,6,17,22-tetrachloro-11,12,27,28,33,33,34,34-octamethoxynonacyclo[20.10.1.1^6,17.0^2,21.0^5,18.0^7,10.0^9,14.0^23,32.0^25,30]tetratriacontane-7(10),8,10,12,14,23(32),24,26,28,30-decaene

• 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: (1α,2β,5β,6α,17α,18β,21β,22α)-8,15,24.31-tetraaza-1,6,17,22-tetrachloro-11,12,27,28,33,33,34,34-octamethoxynonacyclo[20.10.1.1^6,17.0^2,21.0^5,18.0^7,10.0^9,14.0^23,32.0^25,30]tetratriacontane-7(10),8,10,12,14,23(32),24,26,28,30-decaene
• 英文别名: (1R,2R,5S,6S,17R,18R,21S,22S)-1,6,17,22-tetrachloro-11,12,27,28,33,33,34,34-octamethoxy-8,15,24,31-tetrazanonacyclo[20.10.1.16,17.02,21.05,18.07,16.09,14.023,32.025,30]tetratriaconta-7,9,11,13,15,23,25,27,29,31-decaene
• 化学式: C₃₈H₄₀Cl₄N₄O₈
• 分子量: 822.57
• InChiKey: VQMNBTCANSLSTO-SQRVDZMQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  54
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  125
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  (1R,2S,5R,6S,9R,10S,13R,14S)-1,6,7,8,9,14,15,16-octachloro-17,17,18,18-tetramethoxypentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene 在 ruthenium trichloride 、 sodium periodate 、 zinc diacetate 、 水 作用下， 以 氯仿 、 氯苯 、 乙腈 为溶剂， 反应 51.0h， 生成 (1α,2β,5β,6α,17α,18β,21β,22α)-8,15,24.31-tetraaza-1,6,17,22-tetrachloro-11,12,27,28,33,33,34,34-octamethoxynonacyclo[20.10.1.1^6,17.0^2,21.0^5,18.0^7,10.0^9,14.0^23,32.0^25,30]tetratriacontane-7(10),8,10,12,14,23(32),24,26,28,30-decaene
  参考文献：
  名称：

  Synthesis and Luminescence Properties of U-Shaped Polycyclic Molecules Containing Syn-Facial Functionalized Quinoxaline Rings

  摘要：

  [GRAPHICS]Rigid U-shaped molecules containing syn-facially situated quinoxaline rings have been synthesized in three steps, by a combination of the Diels-Alder reaction, the ruthenium-catalyzed oxidation, and the Zn(OAc)(2)-catalyzed condensation of the resulting bis-alpha-diketones with benzene-1,2-diamines. The unsymmetric bis-quinoxalines, with electronically different substituents, and the quinoxaline ring-attached alpha-diketones were also prepared. Their luminescence properties were examined and described.

  DOI：

  10.1021/ol051707z

文献信息

• Synthesis and Luminescence Properties of U-Shaped Polycyclic Molecules Containing Syn-Facial Functionalized Quinoxaline Rings
  作者：Teh-Chang Chou、Kung-Ching Liao、Jin-Ju Lin

  DOI：10.1021/ol051707z

  日期：2005.10.1

  [GRAPHICS]Rigid U-shaped molecules containing syn-facially situated quinoxaline rings have been synthesized in three steps, by a combination of the Diels-Alder reaction, the ruthenium-catalyzed oxidation, and the Zn(OAc)(2)-catalyzed condensation of the resulting bis-alpha-diketones with benzene-1,2-diamines. The unsymmetric bis-quinoxalines, with electronically different substituents, and the quinoxaline ring-attached alpha-diketones were also prepared. Their luminescence properties were examined and described.