5-(5-methyl-5-cyano-[1,2,4]trioxolan-3-yl)pentanal dimethyl acetal | 189575-19-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三氧戊环
• 英文名称: 5-(5-methyl-5-cyano-[1,2,4]trioxolan-3-yl)pentanal dimethyl acetal
• 英文别名: 5-(5,5-Dimethoxypentyl)-3-methyl-1,2,4-trioxolane-3-carbonitrile
• CAS: 189575-19-7
• 化学式: C₁₁H₁₉NO₅
• 分子量: 245.276
• InChiKey: BLPYFQMARXLDDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.71
• 重原子数：
  17.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  69.94
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  甲醇 、 丙酮腈 、 环己烯 在 臭氧 作用下， 生成 5-(5-methyl-5-cyano-[1,2,4]trioxolan-3-yl)pentanal dimethyl acetal
  参考文献：
  名称：

  Syntheses of bifunctional compounds from cycloalkenes via ozonide intermediates

  摘要：

  The ozonolytic cleavage of cycloalkene in the presence of methyl pyruvate affords a tri-substituted ozonide. The resulted tri-substituted ozonide moiety contained three reactive centers (i.e. peroxide, ozonide ring proton and methoxycarbonyl group) which could be transformed to different functional groups under different conditions in good yields. It is a very efficient and versatile methodology to prepare the terminal differentiated compounds from symmetric cycloalkenes in two steps in high yields. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00207-x