1,3,5-tris(2,6-dimethoxy-4-pentylphenyl)benzene | 1039358-36-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,3,5-tris(2,6-dimethoxy-4-pentylphenyl)benzene
• CAS: 1039358-36-5
• 化学式: C₄₅H₆₀O₆
• 分子量: 696.968
• InChiKey: WQEJCUTVPUKLSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.94
• 重原子数：
  51.0
• 可旋转键数：
  21.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  55.38
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1,3,5-tris(2,6-dimethoxy-4-pentylphenyl)benzene 在 三溴化硼 、 sodium hydroxide 、 水 、 碳酸氢钠 作用下， 以 二氯甲烷 为溶剂， 以91%的产率得到1,3,5-tris(2,6-dihydroxy-4-pentylphenyl)benzene
  参考文献：
  名称：

  D_3h-Symmetrical Hydrogen-Bonding Unit as a Saccharide Recognition and Self-Assembling Module

  摘要：

  A D-3h-symmetrical triresorcinol module 1,3,5-tris(2,6-dihydroxy-4-pentylphenyl)benzene (3) was investigated in terms of its hydrogen-bonding ability for glycoside recognition and self-association. When 3 was treated with glycoside, corresponding changes were induced in H-1 NMR, UV, and CD spectra. The titration experiments indicated the participation of not only a 1:1 but also a 1:2 association of a glucosamine derivative guest. Self-association of 3 caused gelation with CDCl3, and was studied by H-1 NMR and X-ray analysis.

  DOI：

  10.1021/ol800783a
• 作为产物：
  描述：

  2,6-二甲氧基-4-戊基苯硼酸 、 1,3,5-三碘苯 在 sSPhos 、 palladium diacetate 、 potassium carbonate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 42.0h， 以98%的产率得到1,3,5-tris(2,6-dimethoxy-4-pentylphenyl)benzene
  参考文献：
  名称：

  D_3h-Symmetrical Hydrogen-Bonding Unit as a Saccharide Recognition and Self-Assembling Module

  摘要：

  A D-3h-symmetrical triresorcinol module 1,3,5-tris(2,6-dihydroxy-4-pentylphenyl)benzene (3) was investigated in terms of its hydrogen-bonding ability for glycoside recognition and self-association. When 3 was treated with glycoside, corresponding changes were induced in H-1 NMR, UV, and CD spectra. The titration experiments indicated the participation of not only a 1:1 but also a 1:2 association of a glucosamine derivative guest. Self-association of 3 caused gelation with CDCl3, and was studied by H-1 NMR and X-ray analysis.

  DOI：

  10.1021/ol800783a