4-(3-chlorophenyl)-3,15-dioxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),4,9,11,13-pentaene | 1411840-96-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 4-(3-chlorophenyl)-3,15-dioxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),4,9,11,13-pentaene
• CAS: 1411840-96-4
• 化学式: C₁₉H₁₃ClO₂
• 分子量: 308.764
• InChiKey: KPCLJMMJNBEXHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.32
• 重原子数：
  22.0
• 可旋转键数：
  1.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  22.37
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  以 1,2-二氯乙烷 为溶剂， 以44 mg的产率得到4-(3-chlorophenyl)-3,15-dioxatetracyclo[6.6.1.02,6.09,14]pentadeca-2(6),4,9,11,13-pentaene
  参考文献：
  名称：

  Palladacycle-Catalyzed Reaction of Bicyclic Alkenes with Terminal Ynones: Regiospecific Synthesis of Polysubstituted Furans

  摘要：

  A new synthetic strategy to access polysubstituted furans regiospecifically has been developed using simple bicyclic alkenes and terminal ynones as starting materials with palladacycles as unique active catalysts. A rational mechanism has also been proposed. This reaction features mild reaction conditions, easily available starting materials and palladacycle catalysts, a wide substrate scope, and high regiospecificity.

  DOI：

  10.1021/ol302586m