3-[(1,3,5-Trimethyl-1H-pyrazol-4-yl)-hydrazono]-pentane-2,4-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-[(1,3,5-Trimethyl-1H-pyrazol-4-yl)-hydrazono]-pentane-2,4-dione
• 英文别名: 3-[(1,3,5-trimethylpyrazol-4-yl)hydrazinylidene]pentane-2,4-dione
• 化学式: C₁₁H₁₆N₄O₂
• 分子量: 236.274
• InChiKey: DTTIRNVELGAECM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  76.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,3,5-三甲基-吡唑-4-胺 、 乙酰丙酮 在 盐酸 、 sodium nitrite 、 sodium acetate 作用下， 以43%的产率得到3-[(1,3,5-Trimethyl-1H-pyrazol-4-yl)-hydrazono]-pentane-2,4-dione
  参考文献：
  名称：

  Synthesis, characterization and evaluation of antituberculosis activity of some hydrazones

  摘要：

  Several new hydrazone derivatives were prepared by the reaction of some active hydrogen compounds with the diazonium salts of 4-amino-3,5-di/1,3,5-trimethylpyrazoles at 0-5 degrees C. Structures of the new substances were confirmed using UV, IR, 1H NMR, 13C NMR and EI-mass spectral data. In vitro antituberculosis activity of these compounds were tested on Mycobacterium tuberculosis H37Rv at 6.25 microg/ml. Both hydrazone products, ethyl 2-[(3,5-dimethylpyrazole-4-yl)hydrazono]-3-oxobutyrate (3d) and methyl 2-[(3,5-dimethylpyrazole-4-yl)hydrazono]4-methoxy-3-oxobutyrate (3e) showed 29 and 28% inhibition against M. tuberculosis, respectively.

  DOI：

  10.1016/s0014-827x(02)01255-7