3-(4-acetyl-3-methyl-5-(methylthio)-1H-pyrazole-1-yl)-3-oxopropanehydrazide | 1234464-12-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-(4-acetyl-3-methyl-5-(methylthio)-1H-pyrazole-1-yl)-3-oxopropanehydrazide
• 英文别名: 3-(4-Acetyl-3-methyl-5-methylsulfanylpyrazol-1-yl)-3-oxopropanehydrazide；3-(4-acetyl-3-methyl-5-methylsulfanylpyrazol-1-yl)-3-oxopropanehydrazide
• CAS: 1234464-12-0
• 化学式: C₁₀H₁₄N₄O₃S
• 分子量: 270.312
• InChiKey: AFHDCMQKZYRHKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  丙二酰肼 、 3-[双(甲基磺酰基)亚甲基]-2,4-戊二酮 以 乙醇 为溶剂， 反应 3.0h， 以69%的产率得到3-(4-acetyl-3-methyl-5-(methylthio)-1H-pyrazole-1-yl)-3-oxopropanehydrazide
  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

文献信息

• Synthesis of new polysubstituted (pyrazoles, pyrimidines and quinolines) five and six-membered heterocycles: reaction of α,α-dioxoketene dithioacetals with nucleophiles
  作者：M.A. Ebraheem、K.M. Lokanatha Rai、N.U. Kudva.N、A.S. Bahjat

  DOI：10.1016/j.tetlet.2010.04.003

  日期：2010.7

  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.