ethyl 5-[[2-[(5-ethoxycarbonyl-3,4-dimethyl-1H-pyrrol-2-yl)methylideneamino]phenyl]iminomethyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate | 1010391-36-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: ethyl 5-[[2-[(5-ethoxycarbonyl-3,4-dimethyl-1H-pyrrol-2-yl)methylideneamino]phenyl]iminomethyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate
• CAS: 1010391-36-2
• 化学式: C₂₆H₃₀N₄O₄
• 分子量: 462.549
• InChiKey: CWULVPOVIGYFKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  ethyl 5-formyl-3,4-dimethylpyrrole-2-carboxylate 、 邻苯二胺 以 乙醇 、 水 为溶剂， 反应 24.0h， 以70%的产率得到ethyl 5-[[2-[(5-ethoxycarbonyl-3,4-dimethyl-1H-pyrrol-2-yl)methylideneamino]phenyl]iminomethyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate
  参考文献：
  名称：

  Synthesis, characterization and DNA-binding properties of four Zn(II) complexes with bis(pyrrol-2-yl-methyleneamine) ligands

  摘要：

  A novel series of bis(pyrrol-2-yl-methyleneamine) ligands H2Ln (n = 1-4) were synthesized via condensation of diamines with two equivalents of 2-formyl-pyrrole (2). Their Zn(II) complexes were characterized by elemental analyses, mass spectra and IR spectra. The crystal structures of [ZnL1](2) and [ZnL4](2) obtained from ethanol solution was determined by X-ray diffraction analysis, each of them possesses a double-stranded helical geometry. In addition, the DNA-binding properties of the compounds have been fully investigated by absorption, fluorescence and viscosity measurements. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.085