(1α,2β,4β,5α,8α,9β,11β,12α)-14,21-diaza-1,5,8,12-tetrachloro-23,23,24,24-tetramethoxy-17,18-dinitroheptacyclo[10.10.1.15,8.02,11.04,9.013,22.015,20]tetracosane-13(22),14,16,18,20-pentaene-6,7-dione | 869791-64-0

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: (1α,2β,4β,5α,8α,9β,11β,12α)-14,21-diaza-1,5,8,12-tetrachloro-23,23,24,24-tetramethoxy-17,18-dinitroheptacyclo[10.10.1.15,8.02,11.04,9.013,22.015,20]tetracosane-13(22),14,16,18,20-pentaene-6,7-dione
• 英文别名: (1α,2β,4β,5α,8α,9β,11β,12α)-14,21-diaza-1,5,8,12-tetrachloro-23,23,24,24-tetramethoxy-17,18-dinitroheptacyclo[10.10.1.1^5,8.0^2,11.0^4,9.0^13,22.0^15,20]tetracosane-13(22),14,16,18,20-pentaene-6,7-dione
• CAS: 869791-64-0
• 化学式: C₂₆H₂₂Cl₄N₄O₁₀
• 分子量: 692.293
• InChiKey: IYHDIIAISCGVGM-PCKJKVICSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  44.0
• 可旋转键数：
  6.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  183.12
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  (1α,2β,4β,5α,8α,9β,11β,12α)-14,21-diaza-1,5,8,12-tetrachloro-23,23,24,24-tetramethoxy-17,18-dinitroheptacyclo[10.10.1.15,8.02,11.04,9.013,22.015,20]tetracosane-13(22),14,16,18,20-pentaene-6,7-dione 、 邻苯二胺 在 zinc diacetate 作用下， 以 氯苯 为溶剂， 反应 27.0h， 以80%的产率得到(1α,2β,4β,5α,16α,17β,19β,20α)-7,14,22,29-tetraaza-1,5,16,20-tetrachloro-31,31,32,32-tetramethoxy-10,11-dinitrononacyclo[18.10.1.1^5,16.0^2,19.0^4,17.0^6,15.0^8,13.0^21,30.0^23,28]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
• 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 33.0h， 生成 (1α,2β,4β,5α,8α,9β,11β,12α)-14,21-diaza-1,5,8,12-tetrachloro-23,23,24,24-tetramethoxy-17,18-dinitroheptacyclo[10.10.1.15,8.02,11.04,9.013,22.015,20]tetracosane-13(22),14,16,18,20-pentaene-6,7-dione
  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