2,4-dibromo-4',4''-dinitrotriphenylamine

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,4-dibromo-4',4''-dinitrotriphenylamine
• 英文别名: 2,4-dibromo-N,N-bis(4-nitrophenyl)aniline
• 化学式: C₁₈H₁₁Br₂N₃O₄
• 分子量: 493.111
• InChiKey: UZFNBNFULNYOQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  94.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  三苯胺 在 溴 、 copper(II) nitrate 作用下， 以 二氯甲烷 、 乙酸酐 为溶剂， 反应 16.5h， 生成 2,4-dibromo-4',4''-dinitrotriphenylamine
  参考文献：
  名称：

  Electrophilic nitration of triphenylamines as a route to high oxidation potential electrocatalysts. Polynitration, nitrodebromination, and bromine dance

  摘要：

  The nitration of triphenylamine derivatives is facile, readily leading to an introduction of up to three nitro groups at room temperature. The nitration of 4,4',4"-tribromotriphenylamine results in nitrodebromination on one or more rings and bromination at other sites. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.08.139

文献信息

• Electrophilic nitration of triphenylamines as a route to high oxidation potential electrocatalysts. Polynitration, nitrodebromination, and bromine dance
  作者：Xin Wu、Mufaro A. Dube、Albert J. Fry

  DOI：10.1016/j.tetlet.2006.08.139

  日期：2006.10

  The nitration of triphenylamine derivatives is facile, readily leading to an introduction of up to three nitro groups at room temperature. The nitration of 4,4',4"-tribromotriphenylamine results in nitrodebromination on one or more rings and bromination at other sites. (c) 2006 Elsevier Ltd. All rights reserved.