7-isobutyryl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one | 1346518-34-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7-isobutyryl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
• CAS: 1346518-34-0
• 化学式: C₁₂H₁₄O₄
• 分子量: 222.241
• InChiKey: YKZRNCMNGMNEQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.02
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  7-isobutyryl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one 、 tert-Butyl (4E)-3-oxo-4-hexenoate 在 caesium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  Deslongchamps Annulations with Benzoquinone Monoketals

  摘要：

  The so-called Deslongchamps annulation of deprotonated gamma,delta-unsaturated beta-ketoesters 15 to 2-(alkoxycarbonyl)cyclohex-2-en-1-ones or similarly activated cyclohex-2-en-1-ones offers a versatile access to various kinds of decalindiones. The scope of Deslongchamps annulations was extended by establishing acceptor-substituted benzoquinone monoketals such as 13 as viable substrates. They gave octalindiones such as 35 with diastereoselectivities >= 95:5.

  DOI：

  10.1021/ol202809y
• 作为产物：
  描述：

  4-(2-hydroxyethoxy)phenyl isobutyrate 在 碘苯二乙酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 7-isobutyryl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
  参考文献：
  名称：

  Deslongchamps Annulations with Benzoquinone Monoketals

  摘要：

  The so-called Deslongchamps annulation of deprotonated gamma,delta-unsaturated beta-ketoesters 15 to 2-(alkoxycarbonyl)cyclohex-2-en-1-ones or similarly activated cyclohex-2-en-1-ones offers a versatile access to various kinds of decalindiones. The scope of Deslongchamps annulations was extended by establishing acceptor-substituted benzoquinone monoketals such as 13 as viable substrates. They gave octalindiones such as 35 with diastereoselectivities >= 95:5.

  DOI：

  10.1021/ol202809y