4,4-dibromo-1-benzoylpyrazolidine-3,5-dione | 1246169-02-7

• 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: 4,4-dibromo-1-benzoylpyrazolidine-3,5-dione
• 英文别名: 1-Benzoyl-4,4-dibromopyrazolidine-3,5-dione；1-benzoyl-4,4-dibromopyrazolidine-3,5-dione
• CAS: 1246169-02-7
• 化学式: C₁₀H₆Br₂N₂O₃
• 分子量: 361.977
• InChiKey: GJNOGFXGMVQBRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  66.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-benzoylpyrazolidine-3,5-dione 、 4,4-dibromo-1-benzoylpyrazolidine-3,5-dione 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 12.5h， 以85%的产率得到1,1'-dibenzoyl-1,1',2,2'-tetrahydro-[4,4'-bipyrazolylidene]-3,3',5,5'-tetraone
  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
• 作为产物：
  描述：

  1-benzoylpyrazolidine-3,5-dione 在 溴 作用下， 以 溶剂黄146 为溶剂， 反应 2.0h， 以91%的产率得到4,4-dibromo-1-benzoylpyrazolidine-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

文献信息

• Simple route to a novel class of pyrazolidine-3,5-dione based azo dyes
  作者：Jalal Isaad、Anne Perwuelz

  DOI：10.1016/j.tetlet.2010.08.002

  日期：2010.10

  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.