5-methoxy-2,2-dipropyl-3H-1-benzofuran | 1244035-53-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 英文名称: 5-methoxy-2,2-dipropyl-3H-1-benzofuran
• CAS: 1244035-53-7
• 化学式: C₁₅H₂₂O₂
• 分子量: 234.338
• InChiKey: PKTVBYBHBOAMSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-[(3-Methoxyphenyl)methyl]heptan-4-ol 在 碘苯二乙酸 、 palladium diacetate 、 lithium carbonate 作用下， 以 六氟苯 为溶剂， 反应 36.0h， 以91%的产率得到5-methoxy-2,2-dipropyl-3H-1-benzofuran
  参考文献：
  名称：

  Pd(II)-Catalyzed Hydroxyl-Directed C−H Activation/C−O Cyclization: Expedient Construction of Dihydrobenzofurans

  摘要：

  A Pd(II)-catalyzed C-H activation/C-O cyclization reaction directed by a proximate hydroxyl group has been developed. This reaction provides a new method for constructing dihydrobenzofurans, including spirocyclic analogues, a process that is potentially applicable to natural product synthesis.

  DOI：

  10.1021/ja105366u

文献信息

• Pd(II)-Catalyzed Hydroxyl-Directed C−H Activation/C−O Cyclization: Expedient Construction of Dihydrobenzofurans
  作者：Xisheng Wang、Yi Lu、Hui-Xiong Dai、Jin-Quan Yu

  DOI：10.1021/ja105366u

  日期：2010.9.8

  A Pd(II)-catalyzed C-H activation/C-O cyclization reaction directed by a proximate hydroxyl group has been developed. This reaction provides a new method for constructing dihydrobenzofurans, including spirocyclic analogues, a process that is potentially applicable to natural product synthesis.