2,3-di(4-(methoxycarbonyl)phenyl)maleonitrile | 674780-19-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,3-di(4-(methoxycarbonyl)phenyl)maleonitrile
• 英文别名: di-(4-methylbenzoate)-fumaronitrile；methyl 4-[(E)-1,2-dicyano-2-(4-methoxycarbonylphenyl)ethenyl]benzoate
• CAS: 674780-19-9
• 化学式: C₂₀H₁₄N₂O₄
• 分子量: 346.342
• InChiKey: WEWNUDXPGSPGNY-ISLYRVAYSA-N

物化性质

• 熔点：
  225-227 °C(Solv: chloroform (67-66-3); methanol (67-56-1))
• 沸点：
  515.5±50.0 °C(Predicted)
• 密度：
  1.259±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  100
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,3-di(4-(methoxycarbonyl)phenyl)maleonitrile 、 正丁醇 在 magnesium 作用下， 反应 24.0h， 以20%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：

  对氰基甲基苯甲酸甲酯 在 碘 、 sodium methylate 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 3.0h， 以64%的产率得到2,3-di(4-(methoxycarbonyl)phenyl)maleonitrile
  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

文献信息

• [EN] THE PREPARATION OF A DYE COMPOUND AND A METHOD FOR MAKING THE SAME<br/>[FR] PRÉPARATION D'UN COMPOSÉ COLORANT ET UN PROCÉDÉ POUR PRÉPARER CELUI-CI
  申请人：CORUS UK LTD

  公开号：WO2010136178A1

  公开（公告）日：2010-12-02

  The invention relates to a dye compound consisting of four cyclically linked components, the four components comprising at least one linker compound. According to the invention the at least one linker compound is selected from a first linker compound or a second linker compound, the first linker compound having an aromatic carboxylic acid or an alkyl ester thereof, the aromatic group being bonded to fumaronitrile, and the second linker compound having an aromatic carboxylic acid or an alkyl ester thereof, the aromatic group being bonded to phthalonitrile.

  本发明涉及一种由四个环状连接组分组成的染料化合物，其中四个组分包括至少一种连接剂化合物。根据本发明，至少一种连接剂化合物选自第一连接剂化合物或第二连接剂化合物，其中第一连接剂化合物具有芳香羧酸或其烷基酯，芳香基与富马酰亚胺键合，第二连接剂化合物具有芳香羧酸或其烷基酯，芳香基与邻苯二腈键合。