7-isopropyl-2-phenylbenzofuran | 1236291-62-5

• 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: 7-isopropyl-2-phenylbenzofuran
• 英文别名: 2-Phenyl-7-propan-2-yl-1-benzofuran
• CAS: 1236291-62-5
• 化学式: C₁₇H₁₆O
• 分子量: 236.313
• InChiKey: GTPUGNJPKSEACA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 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：

  ethyl N-2-isopropylphenoxyacetimidate 、 苯乙酮 在 1,4-二氧六环 、 盐酸 、 水 作用下， 以68%的产率得到7-isopropyl-2-phenylbenzofuran
  参考文献：
  名称：

  Pd-Catalyzed O-Arylation of Ethyl Acetohydroximate: Synthesis of O-Arylhydroxylamines and Substituted Benzofurans

  摘要：

  An efficient Pd catalyst for the O-arylation of ethyl acetohydroximate with aryl chlorides, bromides, and iodides has been developed. Ethyl acetohydroximate serves as an efficient hydroxylamine equivalent for C-O cross-coupling, thereby allowing for the preparation of O-arylhydroxylamines from simple aryl halides. Short reaction times and broad substrate scope, including heteroaryl coupling partners, allow access to O-arylhydroxylamines that would be difficult to prepare in a single step by traditional methods. Moreover, the O-arylated products so formed can be directly transformed into substituted benzofurans in a single operation.

  DOI：

  10.1021/ja1044874