8-(6,6-dimethylheptanal)-8-propylbicyclo[4.2.0]octa-1,3,5-trien-7-one | 1206451-38-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 8-(6,6-dimethylheptanal)-8-propylbicyclo[4.2.0]octa-1,3,5-trien-7-one
• 英文别名: 2,2-Dimethyl-7-(8-oxo-7-propyl-7-bicyclo[4.2.0]octa-1,3,5-trienyl)heptanal
• CAS: 1206451-38-8
• 化学式: C₂₀H₂₈O₂
• 分子量: 300.441
• InChiKey: PHVOTNSOJBUECJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  22
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-(2-bromophenyl)-8,8-dimethyl-2-propylnonanedial 在 palladium diacetate 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 1,4-二氧六环 为溶剂， 以81%的产率得到8-(6,6-dimethylheptanal)-8-propylbicyclo[4.2.0]octa-1,3,5-trien-7-one
  参考文献：
  名称：

  Pd-Catalyzed Intramolecular Acylation of Aryl Bromides via C−H Functionalization: A Highly Efficient Synthesis of Benzocyclobutenones

  摘要：

  A new catalyst system for the intramolecular acylation of aldehydes with aryl bromides via C-H functionalization is described. The transformation is distinguished by a remarkable functional group tolerance and hence allows for the synthesis of a wide variety of highly functionalized benzocyclobutenones with a diverse set of substitution patterns from simple and easily accessible precursors.

  DOI：

  10.1021/ja909811t

文献信息

• Pd-Catalyzed Intramolecular Acylation of Aryl Bromides via C−H Functionalization: A Highly Efficient Synthesis of Benzocyclobutenones
  作者：Paula Álvarez-Bercedo、Areli Flores-Gaspar、Arkaitz Correa、Ruben Martin

  DOI：10.1021/ja909811t

  日期：2010.1.20

  A new catalyst system for the intramolecular acylation of aldehydes with aryl bromides via C-H functionalization is described. The transformation is distinguished by a remarkable functional group tolerance and hence allows for the synthesis of a wide variety of highly functionalized benzocyclobutenones with a diverse set of substitution patterns from simple and easily accessible precursors.