1,3,5-[(2-pyridyl)-1H-benzoimidazol-1-methyl]-2,4,6-trimethylbenzene | 1582893-18-2

• 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: 1,3,5-[(2-pyridyl)-1H-benzoimidazol-1-methyl]-2,4,6-trimethylbenzene
• 英文别名: 1,3,5-tris[(2-pyridyl-1H-benzimidazol)-1-ylmethyl]-2,4,6-trimethylbenzene；1,3,5-tri(2-(pyridyl-2-yl)benzimidazol-1-ylmethyl)-2,4,6-trimethylbenzene；1-(2,4,6-Trimethyl-3,5-bis((2-(pyridin-2-yl)-1h-benzo[d]imidazol-1-yl)methyl)benzyl)-2-(pyridin-2-yl)-1h-benzo[d]imidazole；2-pyridin-2-yl-1-[[2,4,6-trimethyl-3,5-bis[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]phenyl]methyl]benzimidazole
• CAS: 1582893-18-2
• 化学式: C₄₈H₃₉N₉
• 分子量: 741.898
• InChiKey: IBWCBWSOOHVPRX-UHFFFAOYSA-N

物化性质

• 密度：
  1.28±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  57
• 可旋转键数：
  9
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  92.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1,3,5-[(2-pyridyl)-1H-benzoimidazol-1-methyl]-2,4,6-trimethylbenzene 、 silver nitrate 以 甲醇 为溶剂， 反应 72.0h， 以42%的产率得到
  参考文献：
  名称：

  Two Ag(I) Complexes Constructed From the Flexible Tripodal Pyridyl-Benzimidazole-Based Connector

  摘要：

  Two new complexes {Ag-2(TPBT)(NO3)(2)}(n) (1) and Ag-2(TPBT)(4) (ClO4)(2) (2) were constructed by the reaction of tripodal connector 1,3,5-[(2-pyridyl)-1H-benzoimidazol- 1-methyl)-2,4,6-trimethylbenzene (TPBT) and corresponding silver salts under solvothermal conditions. The synergistic effect of the flexible tripodal ligand and anions has led to different complexes 1 and 2. Complex 1 is a 2D layer with the binuclear units with the AgAg distance of 2.9054 angstrom, whereas 2 is a binuclear motif with AgAg separation of 10.526 angstrom. Both 1 and 2 are further extended into 3D supramolecular architectures by hydrogen bonds and interactions, which exhibit weak luminescence emission in the solid state at room temperature.Supplementary material is available for this article. Go to the publisher's online edition of Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry to view the supplemental file.

  DOI：

  10.1080/15533174.2013.778881
• 作为产物：
  描述：

  2-(2-吡啶)-苯并咪唑 、 2,4,6-三溴甲基三甲基苯 在 potassium hydroxide 作用下， 以 甲苯 为溶剂， 反应 30.0h， 以84%的产率得到1,3,5-[(2-pyridyl)-1H-benzoimidazol-1-methyl]-2,4,6-trimethylbenzene
  参考文献：
  名称：

  Substituted 2-(2''-pyridyl)benzimidazole palladium(II) complexes as an efficient catalytic system for Suzuki--Miyaura cross-coupling reactions

  摘要：

  制备了一系列新型$N,N$型2-(2'-吡啶基)苯并咪唑配体(2A$_{\mathbf{1}}$、2A$_{\mathbf{2}}$、3B$_{\mathbf{1}}$、3B$_{\mathbf{2}}$、3B$_{\mathbf{3}}$和4C$_{\mathbf{1}}$)及其Pd(II)配合物(5A$_{\mathbf{1}}$、5A$_{\mathbf{2}}$、6B$_{\mathbf{1}}$、6B$_{\mathbf{2}}$、6B$_{\mathbf{3}}$和7C$_{\mathbf{1}}$)，并通过常规光谱方法和元素分析进行了表征。含有$N$配位的苯并咪唑配体使得钯催化剂在Suzuki-Miyaura偶联反应中展现出极高的催化活性。在确定具有甲基苯并咪唑环结构的5A$_{\mathbf{1}}$为最佳活性催化剂后，通过改变底物、碱、时间、气氛和水等因素进行了优化研究。发现使用DMF:H$_{2}$O (4/1)溶剂和Cs$_{2}$CO$_{3}$作为碱对反应产率（100%）的提高至关重要。

  DOI：

  10.3906/kim-1505-105

文献信息

• Multinuclear-based copper coordination architectures constructed from pyridyl-1H-benzimidazol-derived flexible tripodal connector and the magnetic behaviors
  作者：Jiyong Hu、Hongchang Yao、Yun Bai、Dandan Zhao、Shufang Chen、Jin’an Zhao

  DOI：10.1016/j.poly.2014.04.012

  日期：2014.8

  Consideration of multinuclear-based coordination architecture with specific properties, two new copper complexes based on a tripodal flexible ligand 1,3,5-tris[(2-pyridyl-1H-benzimidazol)-1yl-methyl]-2,4,6-trimethylbenzene (TPBT), namely, [(Cu4Cu4II)-Cu-I(TPBT)(4)(mu-Cl)(4)Cl-8(H2(O))(17)](n), (1), [Cu-6(TPBT)(2)(SO4)(6)(H2O)](n) (2), have been constructed under the solvothermal reactions. Complex 1 is a 2D reticulate structure with the mixed-valence Cu(I,II) centers. While complex 2 features an inclined interpenetration of 2D sheets, which lead to the 3D supramolecular architecture, and its asymmetric unit contains six distinct Cu(II) centers. In addition, upon decreasing the temperature, the chi T-m value of 1 increases gradually to a maximum at 82 K and then decreases. Whereas the sample of 2 is cooled, the feature of chi T-m value exhibits antiferromagnetic interactions between Cu(II) centers. (C) 2014 Elsevier Ltd. All rights reserved.