(1α,2β,4β,5α,16α,17β,19β,20α)-7,14,22,29-tetraaza-1,5,16,20-tetrachloro-10,11,25,26,31,31,32,32-octamethoxynonacyclo[18.10.1.1^5,16.0^2,19.0^4,17.0^6,15.0^8,13.0^21,30.0^23,29]dotriacontane-6(15),7,9,11,13,21(30),22,24,26,28-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,4β,5α,16α,17β,19β,20α)-7,14,22,29-tetraaza-1,5,16,20-tetrachloro-10,11,25,26,31,31,32,32-octamethoxynonacyclo[18.10.1.1^5,16.0^2,19.0^4,17.0^6,15.0^8,13.0^21,30.0^23,29]dotriacontane-6(15),7,9,11,13,21(30),22,24,26,28-decaene
• 英文别名: (1S,2S,4R,5R,16S,17S,19R,20R)-1,5,16,20-tetrachloro-10,11,25,26,31,31,32,32-octamethoxy-7,14,22,29-tetrazanonacyclo[18.10.1.15,16.02,19.04,17.06,15.08,13.021,30.023,28]dotriaconta-6,8,10,12,14,21,23,25,27,29-decaene
• 化学式: C₃₆H₃₆Cl₄N₄O₈
• 分子量: 794.516
• InChiKey: ZNGKISKFKCIKSX-LISMZZHDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  52
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.56
• 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：

  (1β,3β,4α,7α,8β,10β,11α,14α)-4,5,6,7,11,12,13,14-octachloro-15,15,16,16-tetramethoxypentacyclo<8.4.0.1^4,7.1^11,14.0^3,8>hexadeca-5,12-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,4β,5α,16α,17β,19β,20α)-7,14,22,29-tetraaza-1,5,16,20-tetrachloro-10,11,25,26,31,31,32,32-octamethoxynonacyclo[18.10.1.1^5,16.0^2,19.0^4,17.0^6,15.0^8,13.0^21,30.0^23,29]dotriacontane-6(15),7,9,11,13,21(30),22,24,26,28-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.