7-硝基-2-苯基-1,2-二氢吲唑-3-酮 | 145933-23-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 7-硝基-2-苯基-1,2-二氢吲唑-3-酮
• 英文名称: 2-Phenyl-7-nitro-indazolon
• 英文别名: 7-nitro-2-phenyl-1H-indazol-3-one
• CAS: 145933-23-9
• 化学式: C₁₃H₉N₃O₃
• 分子量: 255.233
• InChiKey: NQKPTKDNNOASGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  N-苯基苯羰基亚肼酰氯 在 氢氧化钾 、 三乙胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 50.0h， 生成 7-硝基-2-苯基-1,2-二氢吲唑-3-酮
  参考文献：
  名称：

  1,2-Diacyl-1-arylhydrazines. 1. Derivatives of 2-hydroxy- and 2-halogenobenzoic acids

  摘要：

  New 1,2-diacyl-1-arylhydrazines, containing a hydroxy group or a mobile halogen atom in the 1-acyl fragment, were obtained by the reaction of the arylhydrazones of acetyl and benzoyl chlorides with the salts of 2-hydroxy-, 2-acetoxy-, and 2-halogeno-3-nitrobenzoic acids. 1-(2-Hydroxybenzoyl)-1-aryl-2-acylhydrazines could not be converted into cyclic products. On heating in alkaline and acidic media elimination of the more hindered salicyloyl group and not dehydration occurred. When boiled in DMF in the presence of bases, 1-(2-halogeno-3-nitro-5-R-benzoyl)-1-aryl-2-acylhydrazines gave 2-aryl-5-R-7-nitroindazol-3-ones and not the expected 4,5-dihydrobenzo[f]-1,3,4-oxadiazepin-5-ones.

  DOI：

  10.1007/bf00866599

文献信息

• Kenner; Witham, Journal of the Chemical Society, 1921, vol. 119, p. 1057
  作者：Kenner、Witham

  DOI：——

  日期：——
• 1,2-Diacyl-1-arylhydrazines. 1. Derivatives of 2-hydroxy- and 2-halogenobenzoic acids
  作者：B. I. Buzykin、L. P. Sysoeva

  DOI：10.1007/bf00866599

  日期：1992.6

  New 1,2-diacyl-1-arylhydrazines, containing a hydroxy group or a mobile halogen atom in the 1-acyl fragment, were obtained by the reaction of the arylhydrazones of acetyl and benzoyl chlorides with the salts of 2-hydroxy-, 2-acetoxy-, and 2-halogeno-3-nitrobenzoic acids. 1-(2-Hydroxybenzoyl)-1-aryl-2-acylhydrazines could not be converted into cyclic products. On heating in alkaline and acidic media elimination of the more hindered salicyloyl group and not dehydration occurred. When boiled in DMF in the presence of bases, 1-(2-halogeno-3-nitro-5-R-benzoyl)-1-aryl-2-acylhydrazines gave 2-aryl-5-R-7-nitroindazol-3-ones and not the expected 4,5-dihydrobenzo[f]-1,3,4-oxadiazepin-5-ones.