2-nonyl-1H-benzo[d]imidazole malonate | 1263311-51-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-nonyl-1H-benzo[d]imidazole malonate
• CAS: 1263311-51-8
• 化学式: C₃H₄O₄*C₁₆H₂₄N₂
• 分子量: 348.442
• InChiKey: WCSKAGQSZATNRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  25.0
• 可旋转键数：
  10.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  103.28
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  2-壬基苯并咪唑 、 丙二酸 以 甲醇 、 乙腈 为溶剂， 生成 2-nonyl-1H-benzo[d]imidazole malonate
  参考文献：
  名称：

  Molecular recognition of 2-alkylbenzimidazole: Photophysical and structural studies

  摘要：

  2-Alkylbenzimidazole (L1-3) forms organic salt co-crystals with several electron-deficient aromatic as well as aliphatic polycarboxylic acids. Electron-rich benzimidazole shows dramatic quenching of fluorescence in presence of electron-deficient acidic guest molecules. Higher selectivity was found towards pyromellitic acid. Substituted benzimidazole forms organic salt co-crystals with different acids of general composition [LnH+.A(-)] (where, A is the acid molecule). The non-covalent interactions between carboxylic acids and L1-3 were investigated by UV-vis, fluorescence and H-1 NMR spectroscopic methods in solution and by single crystal X-ray diffraction in solid state. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jphotochem.2010.01.021