bis(4-bromo-3,5-dimethylphenol) oxalate | 1314879-97-4

• 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: bis(4-bromo-3,5-dimethylphenol) oxalate
• 英文别名: Bis(4-bromo-3,5-dimethylphenyl) oxalate；bis(4-bromo-3,5-dimethylphenyl) oxalate
• CAS: 1314879-97-4
• 化学式: C₁₈H₁₆Br₂O₄
• 分子量: 456.131
• InChiKey: MFKVEAJANFPNPY-UHFFFAOYSA-N

物化性质

• 沸点：
  491.2±45.0 °C(Predicted)
• 密度：
  1.572±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  bis(4-bromo-3,5-dimethylphenol) oxalate 在 双氧水 作用下， 生成 4-溴-3,5-二甲酚
  参考文献：
  名称：

  Bifunctional Aryloxylate Esters as potential oxidatively cleavable linkers

  摘要：

  Selectively cleavable linkers are essential parts in environmentally responsive materials. Here, we introduce aryl oxalate esters (AOE) as one of the first examples for oxidatively cleavable linkers. To this end a series of novel AOEs was synthesized and explored regarding the H2O2-dependent degradation. All AOEs were cleaved selectively at the oxalate group. The degradation rate was clearly dependent on the substituents. Further, it was found that the H2O2 based degradation undergoes an autocatalysis mechanism. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.04.083
• 作为产物：
  描述：

  草酰氯 、 4-溴-3,5-二甲酚 在 sodium hydride 作用下， 以 四氢呋喃 、 mineral oil 为溶剂， 反应 2.5h， 以53%的产率得到bis(4-bromo-3,5-dimethylphenol) oxalate
  参考文献：
  名称：

  Bifunctional Aryloxylate Esters as potential oxidatively cleavable linkers

  摘要：

  Selectively cleavable linkers are essential parts in environmentally responsive materials. Here, we introduce aryl oxalate esters (AOE) as one of the first examples for oxidatively cleavable linkers. To this end a series of novel AOEs was synthesized and explored regarding the H2O2-dependent degradation. All AOEs were cleaved selectively at the oxalate group. The degradation rate was clearly dependent on the substituents. Further, it was found that the H2O2 based degradation undergoes an autocatalysis mechanism. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.04.083

文献信息

• Bifunctional Aryloxylate Esters as potential oxidatively cleavable linkers
  作者：P.v. Czarnecki、A. Kampert、S. Barbe、J.C. Tiller

  DOI：10.1016/j.tetlet.2011.04.083

  日期：2011.7

  Selectively cleavable linkers are essential parts in environmentally responsive materials. Here, we introduce aryl oxalate esters (AOE) as one of the first examples for oxidatively cleavable linkers. To this end a series of novel AOEs was synthesized and explored regarding the H2O2-dependent degradation. All AOEs were cleaved selectively at the oxalate group. The degradation rate was clearly dependent on the substituents. Further, it was found that the H2O2 based degradation undergoes an autocatalysis mechanism. (C) 2011 Elsevier Ltd. All rights reserved.