4',7-diisopropyl-3',5',6,8-tetramethoxyspiro[chromane-2,1'-cyclohexane]-2',4'-dien-6'-one | 1345346-36-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 4',7-diisopropyl-3',5',6,8-tetramethoxyspiro[chromane-2,1'-cyclohexane]-2',4'-dien-6'-one
• CAS: 1345346-36-2
• 化学式: C₂₄H₃₂O₆
• 分子量: 416.514
• InChiKey: KBVMWJCKTVPGDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.56
• 重原子数：
  30.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  63.22
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4',7-diisopropyl-3',5',6,8-tetramethoxyspiro[chromane-2,1'-cyclohexane]-2',4'-dien-6'-one 以 氘代苯 为溶剂， 反应 48.0h， 生成 4',6',7-triisopropyl-3',4a',5',6,7',8-hexamethoxy-3,4,9',9a'-tetrahydrospiro[chromene-2,1'-xanthen]-2'(4a'H)-one
  参考文献：
  名称：

  Efficient Generation of ortho-Quinone Methide: Application to the Biomimetic Syntheses of (±)-Schefflone and Tocopherol Trimers

  摘要：

  An efficient method using silver oxide-mediated oxidation for the synthesis of ortho-quinone methides has been developed and applied to the biomimetic syntheses of novel trimeric natural products, (+/-)-schefflone and tocopherol trimers. Further studies of the critical trimerization as well as substrate scope and limitations are also reported.

  DOI：

  10.1021/ol202641y
• 作为产物：
  描述：

  espintanol 在 silver(l) oxide 作用下， 以 苯 为溶剂， 反应 16.0h， 以72%的产率得到4',6',7-triisopropyl-3',4a',5',6,7',8-hexamethoxy-3,4,9',9a'-tetrahydrospiro[chromene-2,1'-xanthen]-2'(4a'H)-one
  参考文献：
  名称：

  Efficient Generation of ortho-Quinone Methide: Application to the Biomimetic Syntheses of (±)-Schefflone and Tocopherol Trimers

  摘要：

  An efficient method using silver oxide-mediated oxidation for the synthesis of ortho-quinone methides has been developed and applied to the biomimetic syntheses of novel trimeric natural products, (+/-)-schefflone and tocopherol trimers. Further studies of the critical trimerization as well as substrate scope and limitations are also reported.

  DOI：

  10.1021/ol202641y