2-(6,6-dimethyl-7-oxo-8,9-dihydro-4H-benzo[e][2]benzofuran-9a-yl)-N,N-dimethylacetamide | 137644-61-2

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2-(6,6-dimethyl-7-oxo-8,9-dihydro-4H-benzo[e][2]benzofuran-9a-yl)-N,N-dimethylacetamide
• CAS: 137644-61-2
• 化学式: C₁₈H₂₃NO₃
• 分子量: 301.386
• InChiKey: RSJHWZYQHHFMIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.87
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  50.52
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(6,6-dimethyl-7-oxo-8,9-dihydro-4H-benzo[e][2]benzofuran-9a-yl)-N,N-dimethylacetamide 在 Raney Ni(W-2) 、 zinc trifluoromethanesulfonate 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 2-((5aS,9aS)-6,6-Dimethyl-6,7,8,9-tetrahydro-5aH-naphtho[1,2-c]furan-9a-yl)-N,N-dimethyl-acetamide
  参考文献：
  名称：

  Total Synthesis of Euryfuran via Two Sequential Furan Ring Transfer Reaction

  摘要：

  Total synthesis of the marine natural product euryfuran (4) via two sequential furan ring transfer reaction is presented. Key elements of the reaction pathway include as follows; 1) the preparation of propargyl ethers (5c), (10b), and (17c), and its transformation to allylic alcohols (6), (11) and (18), 2) introduction of the angular alkyl group via [3,3] sigmatropic rearrangement.

  DOI：

  10.3987/com-91-5794
• 作为产物：
  描述：

  4,4-Dimethyl-1-prop-2-ynyloxymethyl-6,7-dihydro-4H-isobenzofuran-5-one 在 potassium tert-butylate 作用下， 以 邻二甲苯 、 叔丁醇 为溶剂， 生成 2-(6,6-dimethyl-7-oxo-8,9-dihydro-4H-benzo[e][2]benzofuran-9a-yl)-N,N-dimethylacetamide
  参考文献：
  名称：

  Total Synthesis of Euryfuran via Two Sequential Furan Ring Transfer Reaction

  摘要：

  Total synthesis of the marine natural product euryfuran (4) via two sequential furan ring transfer reaction is presented. Key elements of the reaction pathway include as follows; 1) the preparation of propargyl ethers (5c), (10b), and (17c), and its transformation to allylic alcohols (6), (11) and (18), 2) introduction of the angular alkyl group via [3,3] sigmatropic rearrangement.

  DOI：

  10.3987/com-91-5794