4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl] pyridine

• 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: 4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl] pyridine
• 英文别名: 4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl]pyridine；4-[(4-Hydroxy-3,5-dimethylphenyl)-pyridin-4-ylmethyl]-2,6-dimethylphenol；4-[(4-hydroxy-3,5-dimethylphenyl)-pyridin-4-ylmethyl]-2,6-dimethylphenol
• 化学式: C₂₂H₂₃NO₂
• 分子量: 333.43
• InChiKey: LNFOKMYYZYGMFP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  53.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-吡啶甲醛 、 2,6-二甲基苯酚 在 三氟乙酸 作用下， 以 甲醇 、 硫酸 为溶剂， 反应 8.0h， 以86%的产率得到4-[bis(4-hydroxy-3,5-dimethylphenyl)methyl] pyridine
  参考文献：
  名称：

  4-[Bis(4-hydroxy-3,5-dimethylphenyl)methyl]pyridinium chloride and bromide

  摘要：

  The isostructural title salts, 4-[bis(4-hydroxy-3,5-dimethyl-phenyl)methyl]pyridinium chloride and bromide, C22H24NO2+center dot Cl- and C22H24NO2+center dot Br-, exhibit extended hydrogen-bonded ribbons in the solid state. The halide ions form hydrogen bonds to the pyridinium NH+ group and to the phenol OH groups of the cation. These bonds are coplanar to within 0.1 angstrom and form a T configuration at the anion.

  DOI：

  10.1107/s0108270105008206

文献信息

• 4-[Bis(4-hydroxy-3,5-dimethylphenyl)methyl]pyridinium chloride and bromide
  作者：Chandan Tamuly、Rupam S. Sarma、Andrei S. Batsanov、Andrés E. Goeta、Jubaraj B. Baruah

  DOI：10.1107/s0108270105008206

  日期：2005.5.15

  The isostructural title salts, 4-[bis(4-hydroxy-3,5-dimethyl-phenyl)methyl]pyridinium chloride and bromide, C22H24NO2+center dot Cl- and C22H24NO2+center dot Br-, exhibit extended hydrogen-bonded ribbons in the solid state. The halide ions form hydrogen bonds to the pyridinium NH+ group and to the phenol OH groups of the cation. These bonds are coplanar to within 0.1 angstrom and form a T configuration at the anion.