1,4-bis(2-(2-thiophen-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-thiophen-yl)benzimidazol-1-ylmethyl)benzene
• 英文别名: 1,4-bis((2-(thiophen-2-yl)benzimidazol-1-yl)methyl)benzene；1,4-Bis((2-(thiophen-2-yl)-benzimidazol-1-yl)methyl)benzene；2-thiophen-2-yl-1-[[4-[(2-thiophen-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
• 化学式: C₃₀H₂₂N₄S₂
• 分子量: 502.663
• InChiKey: NEZVPWVQNHSMLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 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：
  92.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  二氯甲烷 、 1,4-bis(2-(2-thiophen-yl)benzimidazol-1-ylmethyl)benzene 、 silver trifluoromethanesulfonate 以 甲醇 为溶剂， 以70%的产率得到
  参考文献：
  名称：

  Silver(I) based dinuclear metallacycles with free thiophenyl/thiomethyl units

  摘要：

  在常温条件下，使用AgOS(O2)CF3和苯并咪唑衍生出的双齿N供体配体，合成了三种带有自由噻吩基或硫甲基的双核、离子型且同核金属环。这些配合物通过分析和光谱（红外和1H核磁共振）技术进行了表征，其中两种配合物通过单晶X射线衍射进行了结构表征。

  DOI：

  10.1007/s12039-015-1027-3
• 作为产物：
  描述：

  1,4-二(溴甲基)苯 、 (9ci)-2-(2-噻吩)-1H-苯并咪唑 在 potassium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 52.0h， 以78%的产率得到1,4-bis(2-(2-thiophen-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

• Silver(I) based dinuclear metallacycles with free thiophenyl/thiomethyl units
  作者：SARITA YADAV、DEEPAK GUPTA、MALAICHAMY SATHIYENDIRAN

  DOI：10.1007/s12039-015-1027-3

  日期：2016.2

  Three dinuclear, ionic and homoleptic metallacycles decorated with free thiophenyl or thiomethyl units were synthesized using AgOS(O 2)CF 3 and benzimidazole derived ditopic N-donor ligands at ambient condition. The complexes were characterized by analytical and spectroscopic (IR and 1H NMR) techniques and two of the complexes were structurally characterised through single crystal X-ray diffraction.

  在常温条件下，使用AgOS(O2)CF3和苯并咪唑衍生出的双齿N供体配体，合成了三种带有自由噻吩基或硫甲基的双核、离子型且同核金属环。这些配合物通过分析和光谱（红外和1H核磁共振）技术进行了表征，其中两种配合物通过单晶X射线衍射进行了结构表征。
• 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.