3-hydroxy-4,5-bis-hydroxymethyl-2-methyl-1-phenacyl-pyridinium; bromide | 6273-67-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-hydroxy-4,5-bis-hydroxymethyl-2-methyl-1-phenacyl-pyridinium; bromide
• 英文别名: N-Phenacyl-pyridoxinium-bromid；4,5-Bis(hydroxymethyl)-2-methyl-1-phenacylpyridin-1-ium-3-olate;hydrobromide
• CAS: 6273-67-2
• 化学式: Br*C₁₆H₁₈NO₄
• 分子量: 368.227
• InChiKey: YMVBNFXJYZOKME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.14
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  81.6
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  吡哆醇盐酸盐 在 碳酸氢钠 作用下， 生成 3-hydroxy-4,5-bis-hydroxymethyl-2-methyl-1-phenacyl-pyridinium; bromide
  参考文献：
  名称：

  Effect of structure of nucleophile and substrate on the quaternization of heterocyclic amines

  摘要：

  The influence of the nature of the quaternizing agent and substrate on the quaternization of heterocyclic amines, derivatives of pyridine, beta-picoline, nicotinamide, pyridoxine, was studied. The synthesized compounds were characterized by IR spectroscopy and elemental analysis. The conclusions were made about the effect of the structure of nucleophile and substrate on the process of quaternization reaction.

  DOI：

  10.1134/s1070363210050294

文献信息

• Some Quaternary Ammonium Salts of Heterocyclic Bases^1,2
  作者：Jonathan L. Hartwell、Sylvia R. L. Kornberg

  DOI：10.1021/ja01209a048

  日期：1946.5
• Effect of structure of nucleophile and substrate on the quaternization of heterocyclic amines
  作者：O. E. Zhuravlev、N. V. Verolainen、L. I. Voronchikhina

  DOI：10.1134/s1070363210050294

  日期：2010.5

  The influence of the nature of the quaternizing agent and substrate on the quaternization of heterocyclic amines, derivatives of pyridine, beta-picoline, nicotinamide, pyridoxine, was studied. The synthesized compounds were characterized by IR spectroscopy and elemental analysis. The conclusions were made about the effect of the structure of nucleophile and substrate on the process of quaternization reaction.