1,4-bis(2-(2-furan-yl)benzimidazol-1-ylmethyl)benzene

• 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: 1,4-bis(2-(2-furan-yl)benzimidazol-1-ylmethyl)benzene
• 英文别名: 2-(Furan-2-yl)-1-[[4-[[2-(furan-2-yl)benzimidazol-1-yl]methyl]phenyl]methyl]benzimidazole；2-(furan-2-yl)-1-[[4-[[2-(furan-2-yl)benzimidazol-1-yl]methyl]phenyl]methyl]benzimidazole
• 化学式: C₃₀H₂₂N₄O₂
• 分子量: 470.53
• InChiKey: UAMCEAMDXJQAAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  61.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  十羰基二铼 、 氯冉酸 、 1,4-bis(2-(2-furan-yl)benzimidazol-1-ylmethyl)benzene 以 均三甲苯 为溶剂， 反应 48.0h， 以80%的产率得到[(CO)₃Re(μ-CA)(μ-(1,4-bis(2-(2-furan-yl)benzimidazol-1-ylmethyl)benzene))Re(CO)₃]
  参考文献：
  名称：

  Thiophene/furan units decorated unsymmetrical dinuclear metallocalix[4]arenes

  摘要：

  Twelve new dinuclear metallocalix[4]arenes (1-12) decorated with two thiophene units/two furan units were synthesized using a newly designed flexible ditopic nitrogen donors, a bis-chelating ligands, and Re-2(CO)(10) and were structurally characterized by various spectroscopic methods. The structures of 1, 5 and 9 were confirmed by single crystal X-ray diffraction analysis. The photophysical properties of the ligands were studied. The structures of 1, 3 and 5-12 were optimized using DFT-calculations. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.03.028
• 作为产物：
  描述：

  1,4-二(溴甲基)苯 、 麦穗宁 在 potassium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 52.0h， 以47%的产率得到1,4-bis(2-(2-furan-yl)benzimidazol-1-ylmethyl)benzene
  参考文献：
  名称：

  Thiophene/furan units decorated unsymmetrical dinuclear metallocalix[4]arenes

  摘要：

  Twelve new dinuclear metallocalix[4]arenes (1-12) decorated with two thiophene units/two furan units were synthesized using a newly designed flexible ditopic nitrogen donors, a bis-chelating ligands, and Re-2(CO)(10) and were structurally characterized by various spectroscopic methods. The structures of 1, 5 and 9 were confirmed by single crystal X-ray diffraction analysis. The photophysical properties of the ligands were studied. The structures of 1, 3 and 5-12 were optimized using DFT-calculations. (C) 2014 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2014.03.028

文献信息

• Thiophene/furan units decorated unsymmetrical dinuclear metallocalix[4]arenes
  作者：Palanisamy Rajakannu、Shaikh M. Mobin、Malaichamy Sathiyendiran

  DOI：10.1016/j.jorganchem.2014.03.028

  日期：2014.11

  Twelve new dinuclear metallocalix[4]arenes (1-12) decorated with two thiophene units/two furan units were synthesized using a newly designed flexible ditopic nitrogen donors, a bis-chelating ligands, and Re-2(CO)(10) and were structurally characterized by various spectroscopic methods. The structures of 1, 5 and 9 were confirmed by single crystal X-ray diffraction analysis. The photophysical properties of the ligands were studied. The structures of 1, 3 and 5-12 were optimized using DFT-calculations. (C) 2014 Elsevier B.V. All rights reserved.