1,3,5-tris[(4-bromo-1H-pyrazol-1-yl)methyl]-2,4,6-triethylbenzene | 1570129-37-1

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 1,3,5-tris[(4-bromo-1H-pyrazol-1-yl)methyl]-2,4,6-triethylbenzene
• 英文别名: 1-[[3,5-Bis[(4-bromopyrazol-1-yl)methyl]-2,4,6-triethylphenyl]methyl]-4-bromopyrazole
• CAS: 1570129-37-1
• 化学式: C₂₄H₂₇Br₃N₆
• 分子量: 639.231
• InChiKey: RIVWMRSBSMAPSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  53.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-溴吡唑 、 1,3,5-三(溴甲基)-2,4,6-三乙基苯 在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.5h， 以93%的产率得到1,3,5-tris[(4-bromo-1H-pyrazol-1-yl)methyl]-2,4,6-triethylbenzene
  参考文献：
  名称：

  Synthesis of Tripodal and Hexapodal Pyrazole- and Benzimidazole-Bearing Compounds

  摘要：

  The syntheses of eight new tripodal and hexapodal benzimidazole- and pyrazole-bearing compounds, which are all potentially applicable for use as artificial receptors, are described. The prepared compounds contain either bromo-substituted heteroaromatic rings, able to participate in halogen-bonding interactions, or their analogues lacking the bromo substituents. Furthermore, the preparation of a new trisbenzimidazolium cage is included in this work. All used practical synthetic procedures are facilely accomplishable and provide the products in good to excellent yields. In addition, slightly modified, simplified synthetic procedures for five known tripodal compounds, which lead to better yields than those previously reported, are also detailed.

  DOI：

  10.1055/s-0033-1338518