5-hydroperoxy-1,3-dimethyl-5-(4-methylpent-1-en-3-yl)pyrimidine-2,4,6(1H,3H,5H)-trione | 1413942-99-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-hydroperoxy-1,3-dimethyl-5-(4-methylpent-1-en-3-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
• CAS: 1413942-99-0
• 化学式: C₁₂H₁₈N₂O₅
• 分子量: 270.285
• InChiKey: LLOLSDGJGHBOLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.72
• 重原子数：
  19.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  87.15
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  5-hydroperoxy-1,3-dimethyl-5-(4-methylpent-1-en-3-yl)pyrimidine-2,4,6(1H,3H,5H)-trione 在 1,3,5,5-四甲基咪唑烷-2,4-二酮 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以49%的产率得到3-(iodomethyl)-4-isopropyl-7,9-dimethyl-1,2-dioxa-7,9-diazaspiro[4.5]decane-6,8,10-trione
  参考文献：
  名称：

  Cu(II)-Catalyzed Aerobic Hydroperoxidation of Meldrum’s Acid Derivatives and Application in Intramolecular Oxidation: A Conceptual Blueprint for O₂/H₂ Dihydroxylation

  摘要：

  Aerobic hydroperoxidation of Meldrum's acid derivatives via a Cu(II)-catalyzed process is presented. The mild reaction conditions are tolerant to pendant unsaturation allowing the formation of endoperoxides via electrophilic activation. Cleavage of the O-O bond provides 1,n-diols with differentiation of the hydroxy groups.

  DOI：

  10.1021/ol302848m
• 作为产物：
  描述：

  1,3-dimethyl-5-(4-methylpent-1-en-3-yl)pyrimidine-2,4,6(1H,3H,5H)trione 在 copper(II) nitrate trihydrate 、 氧气 作用下， 以 乙腈 为溶剂， 反应 8.0h， 以49%的产率得到5-hydroperoxy-1,3-dimethyl-5-(4-methylpent-1-en-3-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
  参考文献：
  名称：

  Cu(II)-Catalyzed Aerobic Hydroperoxidation of Meldrum’s Acid Derivatives and Application in Intramolecular Oxidation: A Conceptual Blueprint for O₂/H₂ Dihydroxylation

  摘要：

  Aerobic hydroperoxidation of Meldrum's acid derivatives via a Cu(II)-catalyzed process is presented. The mild reaction conditions are tolerant to pendant unsaturation allowing the formation of endoperoxides via electrophilic activation. Cleavage of the O-O bond provides 1,n-diols with differentiation of the hydroxy groups.

  DOI：

  10.1021/ol302848m