4,6,7-trimethyl-2,3-bis-(2,4,6-trimethyl-phenyl)-benzofuran | 26944-19-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 2-芳基苯并呋喃类黄酮
• 英文名称: 4,6,7-trimethyl-2,3-bis-(2,4,6-trimethyl-phenyl)-benzofuran
• 英文别名: 4,6,7-Trimethyl-2,3-bis(2,4,6-trimethylphenyl)-1-benzofuran
• CAS: 26944-19-4
• 化学式: C₂₉H₃₂O
• 分子量: 396.572
• InChiKey: LEMLEWCRYDWWEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  13.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  trimesityl-vinyl alcohol 在 tris(1,10-phenanthroline)iron(III) tris(hexafluorophosphate) 作用下， 以 乙腈 为溶剂， 反应 0.08h， 以99%的产率得到4,6,7-trimethyl-2,3-bis-(2,4,6-trimethyl-phenyl)-benzofuran
  参考文献：
  名称：

  Enol cation radicals in solution. 4. An improved Synthesis of 4,6,7-Trimethylbenzofurans by oxidation of ?-mesityl substituted enols

  摘要：

  An improved syntectic access for the construction of 4,6,7-trimethylbenzofurans (B1-B8) through the one-electron oxidation of mesityl-substituted enols (E1-E8) is presented. The transformation can be accomplished in good to excellent yields by using various oxidants; i.e. tris(1,10-phenanthroline)iron(III) hexafluorophosphate, FeCl3, Ce(NH4)2(NO3)6, Cu(OTf)2/Cu2O or anodic oxidation.

  DOI：

  10.1002/prac.19943360409

文献信息

• Roeck, Maik; Schmittel, Michael, Journal of the Chemical Society. Chemical communications, 1993, # 23, p. 1739 - 1741
  作者：Roeck, Maik、Schmittel, Michael

  DOI：——

  日期：——
• Enol cation radicals in solution. 4. An improved Synthesis of 4,6,7-Trimethylbenzofurans by oxidation of ?-mesityl substituted enols
  作者：Maik R�ck、Michael Schmittel

  DOI：10.1002/prac.19943360409

  日期：——

  An improved syntectic access for the construction of 4,6,7-trimethylbenzofurans (B1-B8) through the one-electron oxidation of mesityl-substituted enols (E1-E8) is presented. The transformation can be accomplished in good to excellent yields by using various oxidants; i.e. tris(1,10-phenanthroline)iron(III) hexafluorophosphate, FeCl3, Ce(NH4)2(NO3)6, Cu(OTf)2/Cu2O or anodic oxidation.