3-(2-methoxynaphthalen-1-yl)-5-oxo-4,5-dihydro-1H-pyrazole-4-carbonitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-(2-methoxynaphthalen-1-yl)-5-oxo-4,5-dihydro-1H-pyrazole-4-carbonitrile
• 英文别名: 3-(2-Methoxynaphthalen-1-yl)-5-oxo-1,4-dihydropyrazole-4-carbonitrile；3-(2-methoxynaphthalen-1-yl)-5-oxo-1,4-dihydropyrazole-4-carbonitrile
• 化学式: C₁₅H₁₁N₃O₂
• 分子量: 265.271
• InChiKey: AKPAGWOQWAZUDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  74.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-甲氧基-1-萘醛 在 三乙胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 3-(2-methoxynaphthalen-1-yl)-5-oxo-4,5-dihydro-1H-pyrazole-4-carbonitrile
  参考文献：
  名称：

  Synthesis and Antimicrobial Evaluation of Some New Dihydropyridine, Pyrazole, Chromene, Pyrrole, Thiazole and Thiophene Derivatives

  摘要：

  Synthesis of 2-cyano-N((2-methoxynaphthalen-1-yl)methylene)acetohydrazide (3) and its use as a key intermediate for the synthesis of some new heterocyclic compounds such as dihydropyridines (4, 6 and 8), pyrazoles (9 and 10), chromene (11), pyrroles (12 and 13), thiazoles (14 and 17) and thiophene (18-20) derivatives were described. The structures of newly synthesized compounds have been established on the basis of their IR, H-1-NMR, C-13-NMR and mass spectral data and have been screened for their antimicrobial activity.

  DOI：

  10.3987/com-14-13072

文献信息

• Synthesis and Antimicrobial Evaluation of Some New Dihydropyridine, Pyrazole, Chromene, Pyrrole, Thiazole and Thiophene Derivatives
  作者：Ahmed A. Fadda、Hala M. Refat、Khaled S. Mohamed、Nada A. H. Mohamed

  DOI：10.3987/com-14-13072

  日期：——

  Synthesis of 2-cyano-N((2-methoxynaphthalen-1-yl)methylene)acetohydrazide (3) and its use as a key intermediate for the synthesis of some new heterocyclic compounds such as dihydropyridines (4, 6 and 8), pyrazoles (9 and 10), chromene (11), pyrroles (12 and 13), thiazoles (14 and 17) and thiophene (18-20) derivatives were described. The structures of newly synthesized compounds have been established on the basis of their IR, H-1-NMR, C-13-NMR and mass spectral data and have been screened for their antimicrobial activity.