ethyl-1-(3-hydrazinyl-3-oxopropanoyl)-3-methyl-5-(methylthio)-1H-pyrazole-4-carboxylate | 1234464-20-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl-1-(3-hydrazinyl-3-oxopropanoyl)-3-methyl-5-(methylthio)-1H-pyrazole-4-carboxylate
• 英文别名: Ethyl 1-(3-hydrazinyl-3-oxopropanoyl)-3-methyl-5-methylsulfanylpyrazole-4-carboxylate
• CAS: 1234464-20-0
• 化学式: C₁₁H₁₆N₄O₄S
• 分子量: 300.338
• InChiKey: DUDPMUQZGASIRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  142
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  丙二酰肼 、 ethyl 2-acetyl-3,3-bis(methylthio)acrylate 以 乙醇 为溶剂， 反应 3.0h， 以80%的产率得到ethyl-1-(3-hydrazinyl-3-oxopropanoyl)-3-methyl-5-(methylthio)-1H-pyrazole-4-carboxylate
  参考文献：
  名称：

  Synthesis of new polysubstituted (pyrazoles, pyrimidines and quinolines) five and six-membered heterocycles: reaction of α,α-dioxoketene dithioacetals with nucleophiles

  摘要：

  A novel synthesis of polysubstituted pyrazoles 3a-d, pyrimidines 4a-f and quinolines 5a-c via the reaction of alpha,alpha-oxoketene dithioacetals 2a-c with hydrazine hydrate, malonohydrazide, urea, thiourea and aniline is reported and the synthetic potential of the method is demonstrated. The structure of the new compounds was established upon their elemental analysis, IR, H-1 NMR and C-13 NMR. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.04.003