5,5-dimethyl-2,2-diprenyl-1,3-cyclohexadione | 1260424-76-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5,5-dimethyl-2,2-diprenyl-1,3-cyclohexadione
• 英文别名: 5,5-Dimethyl-2,2-bis(3-methylbut-2-enyl)cyclohexane-1,3-dione
• CAS: 1260424-76-7
• 化学式: C₁₈H₂₈O₂
• 分子量: 276.419
• InChiKey: WWQKHSNPFXAQCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5,5-dimethyl-2,2-diprenyl-1,3-cyclohexadione 在 aluminum (III) chloride 作用下， 以 1,4-二氧六环 为溶剂， 以90%的产率得到2,2,7,7-tetramethyl-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
• 作为产物：
  描述：

  5,5-二甲基-1,3-环己二酮 、 1-溴-3-甲基-2-丁烯 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以65%的产率得到5,5-dimethyl-2,2-diprenyl-1,3-cyclohexadione
  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