C,C,C-Trifluoro-N-(4-nitro-phenyl)-N-{2-[(4-nitro-phenyl)-trifluoromethanesulfonyl-amino]-2-oxo-acetyl}-methanesulfonamide | 71549-43-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: C,C,C-Trifluoro-N-(4-nitro-phenyl)-N-{2-[(4-nitro-phenyl)-trifluoromethanesulfonyl-amino]-2-oxo-acetyl}-methanesulfonamide
• 英文别名: N,N'-bis(4-nitrophenyl)-N,N'-bis(trifluoromethylsulfonyl)oxamide
• CAS: 71549-43-4
• 化学式: C₁₆H₈F₆N₄O₁₀S₂
• 分子量: 594.383
• InChiKey: XKIZVWXCFVGMDL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  38
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  217
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  草酰氯 、 三氟甲磺酸酐 、 4-硝基苯胺 生成 C,C,C-Trifluoro-N-(4-nitro-phenyl)-N-{2-[(4-nitro-phenyl)-trifluoromethanesulfonyl-amino]-2-oxo-acetyl}-methanesulfonamide
  参考文献：
  名称：

  Efficient peroxyoxalate chemiluminescence from reactions of N-(trifluoromethylsulfonyl)oxamides with hydrogen peroxide and fluorescers

  摘要：

  DOI：

  10.1021/jo01337a020

文献信息

• N,N-Bis(trifluoromethylsulfonyl)oxamides and chemiluminescent
  申请人：American Cyanamid Company

  公开号：US04226738A1

  公开（公告）日：1980-10-07

  N,N'-bis(trifluoromethylsulfonyl)oxamides are described with a number of variations by substitution at the amido nitrogen atoms. These compounds when used in chemiluminescent formulations will furnish superior light intensity and quantum efficiency. Preparation of compounds and their use for chemiluminescence are described.

  描述了N，N'-双（三氟甲基磺酰基）草酰胺在氨基氮原子处进行多种变化。当这些化合物用于化学发光配方时，将提供更优越的光强度和量子效率。描述了化合物的制备及其在化学发光中的应用。
• Novel N,N'-bis(trifluoromethylsulfonyl)oxamides, chemiluminescent compositions containing them and processes for generating chemiluminescence employing said compositions
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0010844A1

  公开（公告）日：1980-05-14

  Novel N,N'-bis(trifluoromethylsulfonyl)oxamides of the formula (I) wherein R and R' have the meaning given in the description (preferably chlorinated phenyl or pyridyl, nitrophenyl or methoxyethyl), when used in compositions comprising also an organic fluorescer such as 1-chloro-9,10-bis(phe- nylethynyl)-anthracene and a diluent such as dibutyl phthalate, will furnish chemiluminescent light with good light intensity and quantum efficiency upon reaction with a peroxide component such as hydrogen peroxide. The preparation of the compounds of the formula (I) is described; e.g. the particulary preferred compound N,N'-bis(2,4,5-trichlorophenyl)-N,N'-bis-trifluoromethylsulfonyl)-oxamide is prepared on the following way:

  新颖的 N,N'-双(三氟甲基磺酰基)草酰胺，其式为(I) 其中 R 和 R'具有说明中给出的含义（最好是氯化苯基或吡啶基、硝基苯基或甲氧基乙基），当用于包含以下成分的组合物中时 当与过氧化物成分（如过氧化氢）反应时，将产生光强度和量子效率良好的化学发光。例如，N,N'-双（2,4,5-三氯苯基）-N,N'-双三氟甲基磺酰基）-氧酰胺的制备方法如下：
• US4226738A
  申请人：——

  公开号：US4226738A

  公开（公告）日：1980-10-07