(4,4')-4,4'-(2,2'-(1H-1,2,4-triazole-3,5-diyl)bis(hydrazin-2-yl-1-ylidene))-bis-1-(4',2'-dinitrophenyl)pyrazolidine-3,5-dione | 1246169-13-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (4,4')-4,4'-(2,2'-(1H-1,2,4-triazole-3,5-diyl)bis(hydrazin-2-yl-1-ylidene))-bis-1-(4',2'-dinitrophenyl)pyrazolidine-3,5-dione
• 英文别名: 1-(2,4-dinitrophenyl)-4-[[3-[[1-(2,4-dinitrophenyl)-3,5-dioxopyrazolidin-4-yl]diazenyl]-1H-1,2,4-triazol-5-yl]diazenyl]pyrazolidine-3,5-dione
• CAS: 1246169-13-0
• 化学式: C₂₀H₁₁N₁₅O₁₂
• 分子量: 653.401
• InChiKey: CJMREMMXPBLXAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  47
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  373
• 氢给体数：
  3
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  3,5-二氨基-1,2,4-三氮唑 、 1-(2,4-dinitrophenyl) pyrazolidine-3,5-dione 在 盐酸 、 sodium nitrite 作用下， 以 甲醇 、 水 为溶剂， 反应 6.0h， 以93%的产率得到(4,4')-4,4'-(2,2'-(1H-1,2,4-triazole-3,5-diyl)bis(hydrazin-2-yl-1-ylidene))-bis-1-(4',2'-dinitrophenyl)pyrazolidine-3,5-dione
  参考文献：
  名称：

  Simple route to a novel class of pyrazolidine-3,5-dione based azo dyes

  摘要：

  We report an easiest synthesis strategy of a new class of synthetic dyes by coupling of functionalized pyrazolidine-3,5-dione derivatives via diazotization reaction with aromatic diamine for the azoic dyes or via dimerization reaction to synthesize the H chromophore dyes. Electron delocalization between the two coupled components has been studied using UV-vis spectroscopy, infrared, and NMR spectroscopy. In addition, the formation mechanism of such compounds has been discussed. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.08.002