2-methoxypyridine methiodide | 52693-53-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-methoxypyridine methiodide
• 英文别名: N-Methyl-2-methoxypyridinjodid；N-Methyl-2-methoxypyridiniodid；2-methoxy-1-methylpyridin-1-ium;iodide
• CAS: 52693-53-5
• 化学式: C₇H₁₀NO*I
• 分子量: 251.067
• InChiKey: TXLHBHGASOIKMW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.48
• 重原子数：
  10.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  13.11
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  2-溴吡啶 在 sodium hydride 作用下， 反应 24.0h， 生成 2-methoxypyridine methiodide
  参考文献：
  名称：

  Microwave Assisted Rapid Preparation of N-Alkyl-2-pyridones under Neutral Conditions by Hilbert-Johnson Reaction

  摘要：

  The reactions of 2-methoxypyridine with haloalkanes without solvent and catalyst under microwave irradiation (100-200 degrees C, 5 min) yielded the corresponding N-alkyl-2(1H)-pyridones in good to moderate yields. However, the reactions were sensitive to length of haloalkanes. In contrast, the reactions of 2-alkoxypyridines with corresponding iodoalkanes under microwave irradiation (150 degrees C) proceeded rapidly without catalyst and solvent, and were complete within 5 min to afford N-alkyl-2(1H)-pyridones in good to excellent yields.

  DOI：

  10.3987/com-10-12006

文献信息

• Excellent correlation between substituent constants and pyridinium N-methyl chemical shifts
  作者：Sha Huang、Jesse C.S. Wong、Adam K.C. Leung、Yee Man Chan、Lili Wong、Myrien R. Fernendez、Amanda K. Miller、Weiming Wu

  DOI：10.1016/j.tetlet.2009.06.081

  日期：2009.9

  Substituents on the pyridinium ring of N-methylpyridinium derivatives, especially those on the 2- or 4-position, have a large effect on the 1H and 13C NMR chemical shifts of the N-methyl group. Reasonable correlations between the chemical shift changes and the resonance substituent constants are observed. The dual substituent parameter approach provides an excellent correlation when a combination of

  的吡啶鎓环上的取代基Ñ -methylpyridinium衍生物，特别是那些在2-或4-位，对具有大的影响1 H和13个C NMR的化学位移ñ -甲基组。观察到化学位移变化与共振取代基常数之间的合理相关性。当采用极性和共振取代基常数的组合时，双取代基参数方法提供了极好的相关性。