1H-3-methyl-4-ethoxycarbonyl-5-(4-methoxybenzylidenehydrazino)pyrazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1H-3-methyl-4-ethoxycarbonyl-5-(4-methoxybenzylidenehydrazino)pyrazole
• 英文别名: ethyl 3-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-5-methyl-1H-pyrazole-4-carboxylate
• 化学式: C₁₅H₁₈N₄O₃
• 分子量: 302.333
• InChiKey: RAGRMJMTNYFOEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  88.6
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-甲氧基苯甲醛 、 乙基3-肼基-5-甲基-1H-吡唑-4-羧酸酯氯化物 以 乙醇 为溶剂， 生成 1H-3-methyl-4-ethoxycarbonyl-5-(4-methoxybenzylidenehydrazino)pyrazole
  参考文献：
  名称：

  Synthesis and Electrochemical Behavior of Some 1H-3-Methyl-4-ethoxycarbonyl-5-(benzylidenehydrazino)pyrazoles

  摘要：

  1H-3-Methyl-4-ethoxycarbonyl-5-(benzylidenehydrazino)pyrazoles are key intermediates in obtaining various heterocyclic systems including pyrazolotriazoles. We present the voltammetric behavior of these compounds in nonaqueous media, with the following para substituents grafted on the benzene ring: -N(CH3)(2), -OH, -OCH3, -F, -Cl, -CF3, -NO2, as well as of the novel compounds with -Br, -I, and -SCH3 in the para position, in order to elucidate the influence of the various substituents on the mechanism of anodic oxidation.

  DOI：

  10.1007/s00706-005-0469-6

文献信息

• Synthesis and Electrochemical Behavior of Some 1H-3-Methyl-4-ethoxycarbonyl-5-(benzylidenehydrazino)pyrazoles
  作者：Liviu V. Costea、Vasile N. Bercean、Valentin Badea、Klaus Gerdes、Ulrich Jordis

  DOI：10.1007/s00706-005-0469-6

  日期：2006.6

  1H-3-Methyl-4-ethoxycarbonyl-5-(benzylidenehydrazino)pyrazoles are key intermediates in obtaining various heterocyclic systems including pyrazolotriazoles. We present the voltammetric behavior of these compounds in nonaqueous media, with the following para substituents grafted on the benzene ring: -N(CH3)(2), -OH, -OCH3, -F, -Cl, -CF3, -NO2, as well as of the novel compounds with -Br, -I, and -SCH3 in the para position, in order to elucidate the influence of the various substituents on the mechanism of anodic oxidation.