2-butyl-6-methyl-benzo[b]furan | 1388142-01-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 2-butyl-6-methyl-benzo[b]furan
• 英文别名: 2-Butyl-6-methyl-1-benzofuran
• CAS: 1388142-01-5
• 化学式: C₁₃H₁₆O
• 分子量: 188.269
• InChiKey: WMLFCTAECPDTMD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 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：

  2-氯-5-甲酚 、 1-己炔 以 水 、 丙酮 、 乙腈 为溶剂， 反应 30.0h， 以59%的产率得到2-butyl-6-methyl-benzo[b]furan
  参考文献：
  名称：

  A Photochemical Route to 2-Substituted Benzo[b]furans

  摘要：

  2-Substituted benzo[b]furans were synthesized by a one-step metal-free photochemical reaction between 2-chlorophenol derivatives and terminal alkynes by tandem formation of an aryl-C and a C-O bond via an aryl cation intermediate. The mild conditions and the application to chlorophenols rather of the more expensive bromo or iodo analogues makes this procedure environmentally convenient.

  DOI：

  10.1021/jo3010183

文献信息

• A Photochemical Route to 2-Substituted Benzo[<i>b</i>]furans
  作者：Stefano Protti、Maurizio Fagnoni、Angelo Albini

  DOI：10.1021/jo3010183

  日期：2012.8.3

  2-Substituted benzo[b]furans were synthesized by a one-step metal-free photochemical reaction between 2-chlorophenol derivatives and terminal alkynes by tandem formation of an aryl-C and a C-O bond via an aryl cation intermediate. The mild conditions and the application to chlorophenols rather of the more expensive bromo or iodo analogues makes this procedure environmentally convenient.