5,5-dimethyl-3-<2-(1,3-dioxolan-2-yl)-ethyl>-2-cyclohexen-1-one | 144648-12-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5,5-dimethyl-3-<2-(1,3-dioxolan-2-yl)-ethyl>-2-cyclohexen-1-one
• 英文别名: 3-[2-(1,3-Dioxolan-2-yl)ethyl]-5,5-dimethylcyclohex-2-en-1-one
• CAS: 144648-12-4
• 化学式: C₁₃H₂₀O₃
• 分子量: 224.3
• InChiKey: FVDBCWNVRMVASV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5,5-dimethyl-3-<2-(1,3-dioxolan-2-yl)-ethyl>-2-cyclohexen-1-one 在 chromium(VI) oxide 、 盐酸 、 硫酸 作用下， 以 四氢呋喃 、 乙醚 、 丙酮 为溶剂， 反应 43.0h， 生成 7,9,9-trimethyl-1-oxaspiro-<4,5>-6-decen-2-one
  参考文献：
  名称：

  Synthesis of an Allylic Spiro-Lactone

  摘要：

  A synthesis of an allylic spiro-lactone (1) is described. Compound 1 is obtained in 5 steps from dimedone with an overall yield of 8.8%. The main feature of the synthesis is the transformation of compound 3 in 1, which involves an water elimination accompanied by allylic rearrangement and lactonization.

  DOI：

  10.1080/00397919208021553
• 作为产物：
  描述：

  2-(2-溴乙基)-1,3-二恶烷 、 3-methoxy-5,5-dimethyl-cyclohex-2-enone 在 碘 、 magnesium 、 1,2-二溴乙烷 作用下， 生成 5,5-dimethyl-3-<2-(1,3-dioxolan-2-yl)-ethyl>-2-cyclohexen-1-one
  参考文献：
  名称：

  Synthesis of an Allylic Spiro-Lactone

  摘要：

  A synthesis of an allylic spiro-lactone (1) is described. Compound 1 is obtained in 5 steps from dimedone with an overall yield of 8.8%. The main feature of the synthesis is the transformation of compound 3 in 1, which involves an water elimination accompanied by allylic rearrangement and lactonization.

  DOI：

  10.1080/00397919208021553

文献信息

• Synthesis of an Allylic Spiro-Lactone
  作者：Mauricio Gomes Constantino、Milton Beltrame、Edna Faria de Medeiros、Gil-Valdo Josè da Silva

  DOI：10.1080/00397919208021553

  日期：1992.11

  A synthesis of an allylic spiro-lactone (1) is described. Compound 1 is obtained in 5 steps from dimedone with an overall yield of 8.8%. The main feature of the synthesis is the transformation of compound 3 in 1, which involves an water elimination accompanied by allylic rearrangement and lactonization.