1,5-bis(benzimidazol-2-yl)-3-oxapentane | 517863-47-7

• 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: 1,5-bis(benzimidazol-2-yl)-3-oxapentane
• 英文别名: 2-[2-[2-(1H-benzimidazol-2-yl)ethoxy]ethyl]-1H-benzimidazole
• CAS: 517863-47-7
• 化学式: C₁₈H₁₈N₄O
• 分子量: 306.367
• InChiKey: NCIQXLXFYRRALP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  66.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,5-bis(benzimidazol-2-yl)-3-oxapentane 、 silver trifluoromethanesulfonate 以 乙醇 、 乙腈 为溶剂， 以74%的产率得到[Ag(1,5-bis(benzimidazol-2-yl)-3-oxapentane)]CF3SO3
  参考文献：
  名称：

  Low-dimensional framework constructed by silver(I) trifluoromethylsulfonate with 1,5-bis(benzimidazol-2-yl)-3-oxapentane or 1,6-bis(benzimidazol-2-yl)-2,5-dioxahexane

  摘要：

  The ligands 1,6-bis(benzimidazol-2-yl)-2,5-dioxahexane (DEBIm) and 1,5-bis(benzimidazol-2-yl)-3-oxapentane (DEBIm) reacted with silver(l) trifluoromethylsulfonate producing [Ag(OEBIm)](CF3SO3) (1) and [Ag(DEBIm)](CF3SO3) (2), respectively. The cation [Ag(L)](+) (L = OEBIm or DEBIm) in both complexes is bent in semi-enclosed form due to the presence of oxygen in the ligands which forms either coordination bond or weak non-bonding interaction with the Ag(I) ion. Crystallographic analyses showed that [Ag(DEBIm)](+) (in 1) and [Ag(OEBIm)](+) (in 2) are assembled differently by the anion CF3SO3- via hydrogen bond N(C)-H... O to give 1-D chain and via N-H... O and C-H... F to give 2-D network, respectively. The complexes were also identified by IR and H-1 NMR spectroscopy. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01153-2