(E)-2-(3,7-dimethylocta-2,6-dien-1-yl)-2-(3-methylbut-2-en-1-yl)cyclohexane-1,3-dione | 1260424-89-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (E)-2-(3,7-dimethylocta-2,6-dien-1-yl)-2-(3-methylbut-2-en-1-yl)cyclohexane-1,3-dione
• CAS: 1260424-89-2
• 化学式: C₂₁H₃₂O₂
• 分子量: 316.484
• InChiKey: MVPSIPSMJPRVJD-QGOAFFKASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.73
• 重原子数：
  23.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (E)-2-(3,7-dimethylocta-2,6-dien-1-yl)-2-(3-methylbut-2-en-1-yl)cyclohexane-1,3-dione 在 aluminum (III) chloride 作用下， 以 1,4-二氧六环 为溶剂， 反应 3.0h， 以61%的产率得到2,2-dimethyl-2,3,4,6,7,8-hexahydro-5H-chromen-5-one
  参考文献：
  名称：

  New chemical access for pyran core embedded derivatives from bisalkenylated 1,3-diketones and 1,3-diketoesters via tandem C-dealkenylation and cyclization

  摘要：

  New chemical access has been developed for the synthesis of pyran core embedded derivatives from 1,3-diketones and 1,3-diketoesters, in which the active methylene group of 1,3-diketone or 1,3-diketoester was alkenylated with three equivalents of alkenyl bromides in presence NaH to give bisalkenyl 1,3-diketones or 1,3-diketoesters and the resultant bisalkenyl 1,3-diketones or 1,3-diketoesters were reacted with AlCl3 at room temperature to furnish pyran core embedded derivatives in good to excellent yields. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.10.030