methyl 3-(2-undecyl-1H-benzo[d]imidazol-1-yl)propanoate | 1446706-13-3

• 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: methyl 3-(2-undecyl-1H-benzo[d]imidazol-1-yl)propanoate
• CAS: 1446706-13-3
• 化学式: C₂₂H₃₄N₂O₂
• 分子量: 358.524
• InChiKey: FFACMEOCWKHVDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.67
• 重原子数：
  26.0
• 可旋转键数：
  13.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  44.12
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  methyl 3-(2-undecyl-1H-benzo[d]imidazol-1-yl)propanoate 在 盐酸 、 水 作用下， 以 乙腈 为溶剂， 反应 12.0h， 生成 2-(1-(2-carboxyethyl)-2-undecyl-1H-benzo[d]imidazol-3-ium-3-yl)acetate
  参考文献：
  名称：

  Multi-stimuli responsive metal-organic gel of benzimidazol-based ligands with lead nitrate and their use in removal of dyes from waste-water

  摘要：

  A novel smart metal-organic gel (MOG) formed from biscarboxyl-functionalized benzimidazole derivative (D11) in the presence of lead nitrate has been investigated. The critical gel concentration for the formation of MOG was just 0.36 wt%, which exhibits a super gelation capability of D11. The coordination of the metal to the ligand D11 was found to play a vital role in the construction of the supramolecular MOG. Microstructures determined by SEM observation demonstrated that the MOG was formed by intertwined fibrils. Interestingly, the MOG exhibits pH-induced, thermo-induced, and chemical-induced reversible gel-sol transition. Meanwhile, this supramolecular MOG shows desirable absorption ability of methyl orange dye molecules in aqueous solution. (C) 2013 You-Ming Zhang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.05.022
• 作为产物：
  描述：

  2-undecylbenzimidazole 、 丙烯酸甲酯（MA） 在 potassium phosphate 作用下， 以 乙腈 为溶剂， 生成 methyl 3-(2-undecyl-1H-benzo[d]imidazol-1-yl)propanoate
  参考文献：
  名称：

  Multi-stimuli responsive metal-organic gel of benzimidazol-based ligands with lead nitrate and their use in removal of dyes from waste-water

  摘要：

  A novel smart metal-organic gel (MOG) formed from biscarboxyl-functionalized benzimidazole derivative (D11) in the presence of lead nitrate has been investigated. The critical gel concentration for the formation of MOG was just 0.36 wt%, which exhibits a super gelation capability of D11. The coordination of the metal to the ligand D11 was found to play a vital role in the construction of the supramolecular MOG. Microstructures determined by SEM observation demonstrated that the MOG was formed by intertwined fibrils. Interestingly, the MOG exhibits pH-induced, thermo-induced, and chemical-induced reversible gel-sol transition. Meanwhile, this supramolecular MOG shows desirable absorption ability of methyl orange dye molecules in aqueous solution. (C) 2013 You-Ming Zhang. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.05.022