4-(4-chlorophenylhydrazono)-5-trifluoromethyl-2,4-dihydropyrazol-3-one | 30614-13-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-(4-chlorophenylhydrazono)-5-trifluoromethyl-2,4-dihydropyrazol-3-one
• 英文别名: 4-[2-(4-chlorophenyl)hydrazinyl]-5-(trifluoromethyl)pyrazol-3-one
• CAS: 30614-13-2
• 化学式: C₁₀H₆ClF₃N₄O
• 分子量: 290.632
• InChiKey: PSSWRIDGMRAMKC-UHFFFAOYSA-N

物化性质

• 密度：
  1?+-.0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.16
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  65.85
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-(4-chlorophenylhydrazono)-5-trifluoromethyl-2,4-dihydropyrazol-3-one 、 2,3,4,6-四乙酰氧基-alpha-D-吡喃葡萄糖溴化物 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-4-(4-chlorophenylhydrazono)-5-trifluoromethyl-2,4-dihydropyrazol-3-one 、 1-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-3-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyloxy)-4-(4-chlorophenylhydrazono)-5-trifluoromethyl-1H-pyrazole
  参考文献：
  名称：

  A facile synthesis, structure, and antimicrobial evaluation of novel 4-arylhydrazono-5-trifluoromethyl-2,4-dihydropyrazol-3-ones, their N- and N,O-bis-β-d-glucosides

  摘要：

  Synthesis of some novel 4-arylhydrazono-5-trifluoromethyl-2,4-dihydropyrazol-3-ones, their N- and N,O-bis- beta-D-glucosides is described. Antimicrobial evaluation of eight selected compounds against Aspergillus fumigatus RCMB 002008 (1), Penicillium italicum RCMB 001018 (1), Syncephalastrum racemosum RCMB 016001, Candida albicans RCMB 005003, Staphylococcus aureus RCMB 106-001 (1), Neudomonas aeruginosa RCMB 102-002, Bacillus subtilis RCMB 101-001, and Escherichia coli RCMB 103-001 has been achieved. The screening results indicated that all the tested compounds exhibited different inhibitory effects against five to seven different organisms of the eight test organisms. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2009.06.003
• 作为产物：
  描述：

  p-chlorobenzenediazonium chloride 、 3-(三氟甲基)-2-吡唑啉-5-酮 在 sodium acetate 作用下， 以 乙醇 、 水 为溶剂， 以94%的产率得到4-(4-chlorophenylhydrazono)-5-trifluoromethyl-2,4-dihydropyrazol-3-one
  参考文献：
  名称：

  A facile synthesis, structure, and antimicrobial evaluation of novel 4-arylhydrazono-5-trifluoromethyl-2,4-dihydropyrazol-3-ones, their N- and N,O-bis-β-d-glucosides

  摘要：

  Synthesis of some novel 4-arylhydrazono-5-trifluoromethyl-2,4-dihydropyrazol-3-ones, their N- and N,O-bis- beta-D-glucosides is described. Antimicrobial evaluation of eight selected compounds against Aspergillus fumigatus RCMB 002008 (1), Penicillium italicum RCMB 001018 (1), Syncephalastrum racemosum RCMB 016001, Candida albicans RCMB 005003, Staphylococcus aureus RCMB 106-001 (1), Neudomonas aeruginosa RCMB 102-002, Bacillus subtilis RCMB 101-001, and Escherichia coli RCMB 103-001 has been achieved. The screening results indicated that all the tested compounds exhibited different inhibitory effects against five to seven different organisms of the eight test organisms. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.carres.2009.06.003