2-oxo-1,8-dioxa-spiro[4.5]decane-3-carboxylic acid | 1313212-27-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧烷类
• 英文名称: 2-oxo-1,8-dioxa-spiro[4.5]decane-3-carboxylic acid
• 英文别名: 2-Oxo-1,8-dioxaspiro[4.5]decane-3-carboxylic acid；2-oxo-1,8-dioxaspiro[4.5]decane-3-carboxylic acid
• CAS: 1313212-27-9
• 化学式: C₉H₁₂O₅
• 分子量: 200.191
• InChiKey: GGBZLBNGMQZJAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  ethyl 1-cyano-6-oxaspiro[2.5]octane-1-carboxylate 在 硫酸 作用下， 以 水 为溶剂， 反应 48.0h， 以41%的产率得到1,8-dioxa-spiro[4.5]-decan-2-one
  参考文献：
  名称：

  Improved Synthesis of γ-Lactones from Cyclopropyl Cyanoesters

  摘要：

  [image omitted] Cyclopropyl cyanoesters 2 were reliably converted to -lactones 4 on treatment with aqueous sulfuric acid. The cyanoesters could be easily prepared from ketones or aldehydes in two steps, making this process particularly attractive from an efficiency standpoint.

  DOI：

  10.1080/00397911.2010.501472

文献信息

• TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP2536733A1

  公开（公告）日：2012-12-26
• Improved Synthesis of γ-Lactones from Cyclopropyl Cyanoesters
  作者：Nandini C. Patel、Jacob B. Schwarz、Khondaker Islam、Whitney Miller、Tuan P. Tran、Yunjing Wei

  DOI：10.1080/00397911.2010.501472

  日期：2011.8

  [image omitted] Cyclopropyl cyanoesters 2 were reliably converted to -lactones 4 on treatment with aqueous sulfuric acid. The cyanoesters could be easily prepared from ketones or aldehydes in two steps, making this process particularly attractive from an efficiency standpoint.