2-(4'-bromopyrazolyl-1')-3-nitropyridine | 77556-29-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(4'-bromopyrazolyl-1')-3-nitropyridine
• 英文别名: 2-(4-bromopyrazol-1-yl)-3-nitropyridine；2-(4-Bromo-1H-pyrazol-1-yl)-3-nitropyridine
• CAS: 77556-29-7
• 化学式: C₈H₅BrN₄O₂
• 分子量: 269.057
• InChiKey: WSYZRVGTVIFHKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  76.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4'-bromopyrazolyl-1')-3-nitropyridine 在 盐酸 、 ammonium hydroxide 、 sodium acetate trihydrate 、 铁粉 、 potassium carbonate 作用下， 以 乙醇 、 水 为溶剂， 反应 8.5h， 生成 2-(4'-bromopyrazolyl-1')-3-tosylaminopyridine
  参考文献：
  名称：

  Bis[2-(4′-Bromopyrazolyl-1′)-3-Tosylaminopyridinato]zinc(II): Synthesis, structure, and luminescence properties

  摘要：

  2-(4'-Bromopyrazolyl-1')-3-tosylaminopyridine (HL3) and its complex ZnL2 (I) are synthesized, and their structures are studied by IR, UV, and H-1 NMR spectroscopy. The molecular structure of complex ZnL2 is determined by X-ray diffraction analysis. The atomic structure of ZnL2 is confirmed by the optimization of the molecular geometry using quantum-chemical calculations in the density functional theory approximation. The experimental bands in the absorption spectrum of complex I are interpreted on the basis of the calculations, and its photoluminescence properties are studied.

  DOI：

  10.1134/s1070328414080016
• 作为产物：
  描述：

  3-nitro-2-(pyrazol-1-yl)-pyridine 在 溴 作用下， 以 溶剂黄146 为溶剂， 反应 5.0h， 以97%的产率得到2-(4'-bromopyrazolyl-1')-3-nitropyridine
  参考文献：
  名称：

  Khan, Misbahul Ain; Pinto, Alvaro Augusto Alves, Journal of Heterocyclic Chemistry, 1981, vol. 18, p. 9 - 14

  摘要：

  DOI：

文献信息

• Synthesis and pharmacological activity of N-hetaryl-3(5)-nitropyridines
  作者：A. I. Klimenko、L. N. Divaeva、A. A. Zubenko、A. S. Morkovnik、L. N. Fetisov、A. N. Bodryakov

  DOI：10.1134/s1068162015030048

  日期：2015.7

  Previously undescribed 2-, 4or 6-substituted hetaryl-3(5)-nitropyridines were synthesized by the interaction of a number of chlorosubstituted 3(5)-nitropyridines with some diazoles or 3-chloropyridazin-6one. In addition, pyrazolyl-3-nitropyridines were prepared by both the above method and cyclization of hydrazinopyridines, which, in turn, were synthesized by the treatment of chlorosubstituted 3-nitropyridines with hydrazine. It has been shown that these compounds have a moderate antibacterial activity against some pathogenic Gram-positive and Gram-negative bacteria (Staphylococcus aureus and Escherichia coli) and a strong protistocidal effect on protozoa species Colpoda steinii surpassing in this respect clinically used reference drugs.
• KHAN MISBAHUL AIN; PINTO ALVARO AUGUSTO ALVES, J. HETEROCYCL. CHEM., 1981, 18, NO 1, 9-14
  作者：KHAN MISBAHUL AIN、 PINTO ALVARO AUGUSTO ALVES

  DOI：——

  日期：——
• Khan, Misbahul Ain; Pinto, Alvaro Augusto Alves, Journal of Heterocyclic Chemistry, 1981, vol. 18, p. 9 - 14
  作者：Khan, Misbahul Ain、Pinto, Alvaro Augusto Alves

  DOI：——

  日期：——
• Bis[2-(4′-Bromopyrazolyl-1′)-3-Tosylaminopyridinato]zinc(II): Synthesis, structure, and luminescence properties
  作者：A. S. Burlov、Yu. V. Koshchienko、V. G. Vlasenko、A. A. Zubenko、M. A. Kiskin、A. V. Dmitriev、E. I. Mal’tsev、D. A. Lypenko、S. A. Nikolaevskii、D. A. Garnovskii

  DOI：10.1134/s1070328414080016

  日期：2014.8

  2-(4'-Bromopyrazolyl-1')-3-tosylaminopyridine (HL3) and its complex ZnL2 (I) are synthesized, and their structures are studied by IR, UV, and H-1 NMR spectroscopy. The molecular structure of complex ZnL2 is determined by X-ray diffraction analysis. The atomic structure of ZnL2 is confirmed by the optimization of the molecular geometry using quantum-chemical calculations in the density functional theory approximation. The experimental bands in the absorption spectrum of complex I are interpreted on the basis of the calculations, and its photoluminescence properties are studied.