Diethyl 5-hexylbenzo[b]fluorene-11,11-dicarboxylate | 960396-74-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: Diethyl 5-hexylbenzo[b]fluorene-11,11-dicarboxylate
• 英文别名: diethyl 5-hexylbenzo[b]fluorene-11,11-dicarboxylate
• CAS: 960396-74-1
• 化学式: C₂₉H₃₂O₄
• 分子量: 444.571
• InChiKey: OELLUSBOSZVYLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  33
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-(2-(di(ethoxycarbonyl)methyl)phenyl)-1-phenylprop-2-ynyl methyl carbonate 、 1-庚炔 在 palladium diacetate copper(l) iodide 、 三乙胺 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以56%的产率得到Diethyl 5-hexylbenzo[b]fluorene-11,11-dicarboxylate
  参考文献：
  名称：

  Synthesis of Fused Polycycles from Propargylic Compounds with Terminal Alkynes via a Palladium-Catalyzed Tandem C−H Activation/Biscyclization Process

  摘要：

  Various benzo[b]fluorene and fluorene derivatives have been prepared from propargylic compounds with terminal alkynes through a novel palladium-catalyzed tandem biscyclization reaction. This reaction involved a sequence of carboannulation, coupling, C-H activation and C-C bond formation process. A plausible mechanism has been proposed that was consistent with the deuterium-labeling experiment.

  DOI：

  10.1021/ol702311z

文献信息

• Synthesis of Fused Polycycles from Propargylic Compounds with Terminal Alkynes via a Palladium-Catalyzed Tandem C−H Activation/Biscyclization Process
  作者：Li-Na Guo、Xin-Hua Duan、Xue-Yuan Liu、Jie Hu、Hai-Peng Bi、Yong-Min Liang

  DOI：10.1021/ol702311z

  日期：2007.12.1

  Various benzo[b]fluorene and fluorene derivatives have been prepared from propargylic compounds with terminal alkynes through a novel palladium-catalyzed tandem biscyclization reaction. This reaction involved a sequence of carboannulation, coupling, C-H activation and C-C bond formation process. A plausible mechanism has been proposed that was consistent with the deuterium-labeling experiment.