[2-(1,2,4-Trioxolan-3-ylmethyl)phenyl] acetate | 1373139-18-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: [2-(1,2,4-Trioxolan-3-ylmethyl)phenyl] acetate
• CAS: 1373139-18-4
• 化学式: C₁₁H₁₂O₅
• 分子量: 224.213
• InChiKey: AOXCYBPFRBIARN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [2-(1,2,4-Trioxolan-3-ylmethyl)phenyl] acetate 在 2,4,6-三甲基吡啶 、 二氯二茂钛 、 锰 、 三甲基氯硅烷 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以97%的产率得到2,2'-diacetoxy-bibenzyl
  参考文献：
  名称：

  Ti-Catalyzed Homolytic Opening of Ozonides: A Sustainable C–C Bond-Forming Reaction

  摘要：

  The unprecedented homolytic opening of ozonides promoted and catalyzed by titanocene(III) is reported. This novel reaction proceeds at room temperature under neutral, mild conditions compatible with many functional groups and provides carbon radicals suitable to form C-C bonds via both homocoupling and cross-coupling processes. The procedure has been advantageously exploited for the straightforward synthesis of the natural product brittonin A.

  DOI：

  10.1021/jo300344a
• 作为产物：
  描述：

  2-烯丙基苯基乙酸酯 在 臭氧 作用下， 以 二氯甲烷 为溶剂， 以68%的产率得到[2-(1,2,4-Trioxolan-3-ylmethyl)phenyl] acetate
  参考文献：
  名称：

  Ti-Catalyzed Homolytic Opening of Ozonides: A Sustainable C–C Bond-Forming Reaction

  摘要：

  The unprecedented homolytic opening of ozonides promoted and catalyzed by titanocene(III) is reported. This novel reaction proceeds at room temperature under neutral, mild conditions compatible with many functional groups and provides carbon radicals suitable to form C-C bonds via both homocoupling and cross-coupling processes. The procedure has been advantageously exploited for the straightforward synthesis of the natural product brittonin A.

  DOI：

  10.1021/jo300344a