3-(tert-butylperoxy)-1-phenyl-3-(pyridin-4-yl)propan-1-one | 1312775-32-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(tert-butylperoxy)-1-phenyl-3-(pyridin-4-yl)propan-1-one
• 英文别名: 3-Tert-butylperoxy-1-phenyl-3-pyridin-4-ylpropan-1-one
• CAS: 1312775-32-8
• 化学式: C₁₈H₂₁NO₃
• 分子量: 299.37
• InChiKey: IIINBZHHNQBRNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(tert-butylperoxy)-1-phenyl-3-(pyridin-4-yl)propan-1-one 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 反应 2.0h， 以80%的产率得到trans-phenyl(3-(pyridin-4-yl)oxiran-2-yl)methanone
  参考文献：
  名称：

  Iron-Catalyzed Carbonylation-Peroxidation of Alkenes with Aldehydes and Hydroperoxides

  摘要：

  A three-component reaction of alkenes, aldehydes, and hydroperoxides catalyzed by FeCl2 to beta-peroxy ketones has been achieved. This three-component reaction can be also applied to the synthesis of a-carbonyl epoxides, through either a stepwise base-induced epoxidation of the separated beta-peroxy ketone products or a one-pot process by simply adding base to the reaction mixture after the completion of the three-component reaction.

  DOI：

  10.1021/ja204226n
• 作为产物：
  描述：

  4-乙烯基吡啶 、 叔丁基过氧化氢 、 苯甲醛 在 iron(II) chloride 作用下， 以 癸烷 、 乙腈 为溶剂， 反应 1.0h， 以39%的产率得到3-(tert-butylperoxy)-1-phenyl-3-(pyridin-4-yl)propan-1-one
  参考文献：
  名称：

  Iron-Catalyzed Carbonylation-Peroxidation of Alkenes with Aldehydes and Hydroperoxides

  摘要：

  A three-component reaction of alkenes, aldehydes, and hydroperoxides catalyzed by FeCl2 to beta-peroxy ketones has been achieved. This three-component reaction can be also applied to the synthesis of a-carbonyl epoxides, through either a stepwise base-induced epoxidation of the separated beta-peroxy ketone products or a one-pot process by simply adding base to the reaction mixture after the completion of the three-component reaction.

  DOI：

  10.1021/ja204226n