(1S,3R,9S,12R)-9-Methyl-7,10,13-trioxa-tricyclo[7.3.1.0^3,12]tridecane-8,11-dione | 133592-93-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: (1S,3R,9S,12R)-9-Methyl-7,10,13-trioxa-tricyclo[7.3.1.0^3,12]tridecane-8,11-dione
• 英文别名: (1S,3R,9S,12R)-9-methyl-7,10,13-trioxatricyclo[7.3.1.03,12]tridecane-8,11-dione
• CAS: 133592-93-5
• 化学式: C₁₁H₁₄O₅
• 分子量: 226.229
• InChiKey: YCJFECCWWCCZCM-UVMAFCGOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-Methyl-4-oxo-4H-[1,3]dioxine-2-carboxylic acid pent-4-enyl ester 以 乙酸乙酯 为溶剂， 以35%的产率得到(1S,3R,9S,12R)-9-Methyl-7,10,13-trioxa-tricyclo[7.3.1.0^3,12]tridecane-8,11-dione
  参考文献：
  名称：

  Regio- and Stereocontrols in the Photo[2+2]cycloaddition of 1,3-Dioxin-4-ones to Alkenes. Use of an Ester Group as the Connecting Unit in the Intramolecular Variant

  摘要：

  Intramolecular photo[2+2]cycloaddition of dioxidones to alkene to give eight membered lactones proceeds with complete stereo- and high regioselectivities when an ester group presents as a linking unit between the acetal carbon and the double bond of the side chain. The successful separation of some dioxinones into the enantiomers indicates the method is useful for synthesis of enantiomerically pure compounds.

  DOI：

  10.3987/com-90-5605