2,3-di[benzyl(11-tetrahydropyranyloxy-3,6,9-trioxoundecyl)amino]-2-butene-1,4-dinitrile | 674780-14-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 2,3-di[benzyl(11-tetrahydropyranyloxy-3,6,9-trioxoundecyl)amino]-2-butene-1,4-dinitrile
• CAS: 674780-14-4
• 化学式: C₄₄H₆₄N₄O₁₀
• 分子量: 809.013
• InChiKey: GZMBUWGYVUQKEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.44
• 重原子数：
  58.0
• 可旋转键数：
  32.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  146.36
• 氢给体数：
  0.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  cis-2,3-dipropylmaleonitrile 、 2,3-di[benzyl(11-tetrahydropyranyloxy-3,6,9-trioxoundecyl)amino]-2-butene-1,4-dinitrile 在 magnesium n-propoxide 作用下， 以 丙醇 为溶剂， 反应 60.0h， 以34%的产率得到
  参考文献：
  名称：

  Novel peripherally functionalized seco-porphyrazines: synthesis, characterization and spectroscopic evaluation

  摘要：

  Co-macrocyclizations of 2,3-dipropylmaleonitrile and 2,3-di-(4-(methoxycarbonyl)phenyl)maleonitrile, respectively, with N,N'-dibenzyl-N,N'-di-(11-tetrahydropyranyloxy-3,6,9-trioxo-undecyl)maleonitrile and N,N,N',N'-tetramethylmaleonitrile were used to prepare derivatives of the 4,5-diamino-porphyrazine systems including the zinc(II) complexes. Subsequent oxidation of the macrocycles with potassium permanganate gave the corresponding seco-porphyrazines. These were shown to be efficient sensitizers for the production of singlet oxygen (Phi(Delta)=0.15-0.57) by the determination of their photophysical properties. (C) 2003 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2003.09.060
• 作为产物：
  描述：

  三缩四乙二醇 在 咪唑 、 碘 、 caesium carbonate 、 对甲苯磺酸 、 三苯基膦 作用下， 以 乙醚 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 26.0h， 生成 2,3-di[benzyl(11-tetrahydropyranyloxy-3,6,9-trioxoundecyl)amino]-2-butene-1,4-dinitrile
  参考文献：
  名称：

  Novel peripherally functionalized seco-porphyrazines: synthesis, characterization and spectroscopic evaluation

  摘要：

  Co-macrocyclizations of 2,3-dipropylmaleonitrile and 2,3-di-(4-(methoxycarbonyl)phenyl)maleonitrile, respectively, with N,N'-dibenzyl-N,N'-di-(11-tetrahydropyranyloxy-3,6,9-trioxo-undecyl)maleonitrile and N,N,N',N'-tetramethylmaleonitrile were used to prepare derivatives of the 4,5-diamino-porphyrazine systems including the zinc(II) complexes. Subsequent oxidation of the macrocycles with potassium permanganate gave the corresponding seco-porphyrazines. These were shown to be efficient sensitizers for the production of singlet oxygen (Phi(Delta)=0.15-0.57) by the determination of their photophysical properties. (C) 2003 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2003.09.060