2-(5-methoxy-3-methyl-1H-pyrazol-1-yl)pyridine | 37959-08-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(5-methoxy-3-methyl-1H-pyrazol-1-yl)pyridine
• 英文别名: 2-(5-methoxy-3-methyl-pyrazol-1-yl)-pyridine；2-(5-Methoxy-3-methylpyrazol-1-yl)pyridine
• CAS: 37959-08-3
• 化学式: C₁₀H₁₁N₃O
• 分子量: 189.217
• InChiKey: BEZMAOVUOBIFMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  39.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-hydroxy-3-methyl-1-(pyrid-2-yl)-1H-pyrazole 、 三甲基硅烷化重氮甲烷 以 甲醇 、 正己烷 、 乙酸乙酯 为溶剂， 反应 0.42h， 以43%的产率得到2-(5-methoxy-3-methyl-1H-pyrazol-1-yl)pyridine
  参考文献：
  名称：

  Reactions and Tautomeric Behavior of 1-(2-Pyridinyl)-1H-pyrazol-5-ols

  摘要：

  The tautomeric behavior of 1-(2-pyridinyl)-2-pyrazolin-5-one (l a) and its 3-methyl derivative (1b) in different solvents was investigated by means of NMR spectroscopy (H-1, C-13, N-15). Moreover, studies regarding the reactions of the title compounds with trimethylsilyldiazomethane, carboxylic acid chlorides, different orthoesters, dimethylformamide diethyl acetal and benzaldehyde are presented. Involvement of pyridine-N atoms in hydrogen bondings was investigated by means of N-15-NMR spectroscopy.

  DOI：

  10.3987/com-11-12206

文献信息

• Reactions and Tautomeric Behavior of 1-(2-Pyridinyl)-1H-pyrazol-5-ols
  作者：Wolfgang Holzer、Peter Pfaffenhuemer、Christian Laggner、Stefan Deibl、Barbara Datterl

  DOI：10.3987/com-11-12206

  日期：——

  The tautomeric behavior of 1-(2-pyridinyl)-2-pyrazolin-5-one (l a) and its 3-methyl derivative (1b) in different solvents was investigated by means of NMR spectroscopy (H-1, C-13, N-15). Moreover, studies regarding the reactions of the title compounds with trimethylsilyldiazomethane, carboxylic acid chlorides, different orthoesters, dimethylformamide diethyl acetal and benzaldehyde are presented. Involvement of pyridine-N atoms in hydrogen bondings was investigated by means of N-15-NMR spectroscopy.