1-(p-nitrophenyl)-4-nitropyrazole | 52944-54-4

• 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-(p-nitrophenyl)-4-nitropyrazole
• 英文别名: 4-Nitro-1-<4-nitro-phenyl>-pyrazol；4-Nitro-1-(4-nitrophenyl)pyrazole
• CAS: 52944-54-4
• 化学式: C₉H₆N₄O₄
• 分子量: 234.171
• InChiKey: FUCHUFPDHFDJEN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 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：
  110
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(p-nitrophenyl)-4-nitropyrazole 在 氢氧化钾 作用下， 以 二甲基亚砜 为溶剂， 反应 1.0h， 生成 2-Nitro-3-(4-nitrophenylamino)-3-(tosylmethyl)propensaeurenitril
  参考文献：
  名称：

  Bernard, Marek K.; Makosza, Mieczyslaw; Szafran, Barbara, Liebigs Annalen der Chemie, 1989, p. 545 - 550

  摘要：

  DOI：
• 作为产物：
  描述：

  4-硝基苯肼盐酸盐 在 水 、 nitromalondialdehyde sodium salt 作用下， 生成 1-(p-nitrophenyl)-4-nitropyrazole
  参考文献：
  名称：

  589.一些三硝基苯基吡唑的制备

  摘要：

  DOI：

  10.1039/jr9570003024

文献信息

• A Simple and Environmentally Benign Nitration of Pyrazoles by Impregnated Bismuth Nitrate
  作者：P. Ravi、Girish M. Gore、Surya P. Tewari、Arun K. Sikder

  DOI：10.1002/jhet.1093

  日期：2013.11

  environmentally friendly synthesis of nitropyrazoles in good yields using silica‐bismuth nitrate and silica‐sulfuric acid‐bismuth nitrate at room temperature for the first time. The relatively non‐toxic nature, ease of handling, easy availability, and low cost make the present procedure attractive for the nitration of a wide variety of diazoles in the drug and pharmaceutical industries.

  我们在这里首次报道了室温下使用二氧化硅-硝酸铋和二氧化硅-硫酸-硝酸铋以高收率轻松，快速，环保地合成硝基吡唑的方法。相对无毒的性质，易于处理，易于获得以及成本低廉，使得本方法对于制药和制药行业中各种二唑的硝化具有吸引力。
• Silica–Sulfuric Acid Catalyzed Nitrodeiodination of Iodopyrazoles
  作者：P. Ravi、Girish M. Gore、Arun K. Sikder、Surya P. Tewari

  DOI：10.1080/00397911.2011.584261

  日期：2012.12.1

  We report here the synthesis of nitropyrazoles in good to excellent yields from iodopyrazoles over silica-sulfuric acid catalyst for the first time. The present procedure require less acid, offers a simplified workup procedure, and may be applied for the nitration of a wide variety of iodoazoles in drug and pharmaceutical industries.
• Faujasite catalyzed nitrodeiodination of iodopyrazoles
  作者：P. Ravi、Surya P. Tewari

  DOI：10.1016/j.catcom.2013.07.032

  日期：2013.12

  Nitrodeiodination of iodopyrazoles using nitric acid/Faujasite has been investigated. The present procedure is simple, rapid and convenient and requires no sulfuric acid or oleum and may be applied for the synthesis of several nitropyrazoles in good yields in drug and pharmaceutical industries. (C) 2013 Elsevier B.V. All rights reserved.
• Dal Monte et al., Gazzetta Chimica Italiana, 1956, vol. 86, p. 797,808
  作者：Dal Monte et al.

  DOI：——

  日期：——
• Synthesis and anti-tuberculosis activity of N-aryl-C-nitroazoles
  作者：Krzysztof Walczak、Andrzej Gondela、Jerzy Suwiński

  DOI：10.1016/j.ejmech.2004.06.014

  日期：2004.10

  Twelve N-aryl derivatives of 4-nitroimidazole, 2-methyl-4-nitroimidazole, 4-nitropyrazole or 3-nitro-1,2,4-triazole have been synthesized either by a degenerated ring transformation reaction of 1,4-dinitroimidazoles with 4-substituted anilines or by a condensation of fluoronitrobenzenes with salts prepared from C-nitro-1H-azoles and 1,8-diazabicyclo[5.4.0]-7-undecene. The Tuberculosis Antimicrobial Acquisition and Coordinating Facility has provided anti-mycobacterial data concerning inhibition activity of 12 compounds. (C) 2004 Elsevier SAS. All rights reserved.