1-phenyl-3-(4-chlorophenyl)-1H-pyrazole-4-carboxaldehyde semicarbazone | 1118429-24-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-phenyl-3-(4-chlorophenyl)-1H-pyrazole-4-carboxaldehyde semicarbazone
• CAS: 1118429-24-5
• 化学式: C₁₇H₁₄BrN₅O
• 分子量: 384.235
• InChiKey: WBONPRIFMVRDJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  85.3
• 氢给体数：
  2.0
• 氢受体数：
  4.0

文献信息

• Novel Bioactive Thio- and Semicarbazide Ligands and Their Organosilicon (IV) Complexes
  作者：Rajesh Malhotra

  DOI：10.1080/10426500903348021

  日期：2010.8.25

  Ligational behavior of thiosemicarbazones and semicarbazones derived from 1-phenyl-3-arylpyrazole-4-carboxaldehydes towards triphenylchlorosilane has been investigated by elemental analysis, molar conductivity measurements, and IR, 1H, 13C, and 29Si NMR spectroscopic studies. The ligands and their organosilicon complexes have also been evaluated for in vitro antimicrobial activity against some pathogenic

  已经通过元素分析、摩尔电导率测量和 IR、1H、13C 和 29Si NMR 光谱研究研究了缩氨基硫脲和缩氨基脲对三苯基氯硅烷的连接行为。还评估了配体及其有机硅复合物对某些病原细菌和真菌的体外抗微生物活性。补充材料可用于本文。转至出版商在线版的磷、硫和硅及相关元素，查看免费的补充文件。
• One-Pot Synthesis of Some New Semicarbazone, Thiosemicarbazone, and Hydrazone Derivatives of 1-Phenyl-3-Arylpyrazole-4-Carboxaldehyde from Acetophenone Phenylhydrazones Using Vilsmeier–Haack Reagent
  作者：Rashmi Pundeer、Pooja Ranjan、Kamaljeet Pannu、Om Prakash

  DOI：10.1080/00397910802372582

  日期：2008.12.31

  Abstract Semicarbazone derivatives 3 of 1,3-diphenylpyrazole-4-carboxaldehyde have been synthesized in high yields through a one-pot procedure involving acetophenone phenylhydrazones 1 subjected to Vilsmeier double formylation and workup under new conditions (i.e., treatment with semicarbazide followed by sodium bicarbonate). This method is even suitable for preparing other derivatives (i.e., thiosemicarbazones

  摘要 1,3-二苯基吡唑-4-甲醛的缩氨基脲衍生物 3 已通过一锅法合成高收率，涉及苯乙酮苯腙 1 进行 Vilsmeier 双甲酰化和在新条件下处理（即，用氨基脲处理，然后用碳酸氢钠处理）。该方法甚至适用于以高产率制备其他衍生物（即缩氨基硫脲 4 和腙5）。