1,6-bis(benzimidazol-2-yl)-2,5-dioxahexane | 102787-90-6

• 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: 1,6-bis(benzimidazol-2-yl)-2,5-dioxahexane
• 英文别名: 2-[2-(1H-benzimidazol-2-ylmethoxy)ethoxymethyl]-1H-benzimidazole
• CAS: 102787-90-6
• 化学式: C₁₈H₁₈N₄O₂
• 分子量: 322.367
• InChiKey: QERYQSCDLKDUSQ-UHFFFAOYSA-N

物化性质

• 熔点：
  248 °C
• 沸点：
  645.5±45.0 °C(Predicted)
• 密度：
  1.343±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  75.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-溴-N,N-二己基乙酰胺 、 1,6-bis(benzimidazol-2-yl)-2,5-dioxahexane 在 sodium hydride 作用下， 生成 1,6-bis{1'-(dihexylcarbamoylmethyl)benzimidazol-2'-yl}-2,5-dioxahexane
  参考文献：
  名称：

  Selectivity in transport

  摘要：

  DOI：

  10.1039/dt9900001365

文献信息

• Clegg, William; Lockhart, Joyce C.; Musa, Faleh H., Journal of the Chemical Society, Dalton Transactions, 1986, p. 47 - 54
  作者：Clegg, William、Lockhart, Joyce C.、Musa, Faleh H.

  DOI：——

  日期：——
• 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
  作者：Yue-Peng Cai、Chun-Long Chen、Li Zhang、Jun-Ling Shi、An-Wu Xu、Cheng-Yong Su、Bei-Sheng Kang

  DOI：10.1016/s0020-1693(02)01153-2

  日期：2003.1

  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.