methyl 2-(4-(tert-butyl)phenyl)-3-phenethyl-1-phenylcycloprop-2-enecarboxylate | 1313370-70-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: methyl 2-(4-(tert-butyl)phenyl)-3-phenethyl-1-phenylcycloprop-2-enecarboxylate
• 英文别名: Methyl 2-(4-tert-butylphenyl)-1-phenyl-3-(2-phenylethyl)cycloprop-2-ene-1-carboxylate；methyl 2-(4-tert-butylphenyl)-1-phenyl-3-(2-phenylethyl)cycloprop-2-ene-1-carboxylate
• CAS: 1313370-70-5
• 化学式: C₂₉H₃₀O₂
• 分子量: 410.556
• InChiKey: BOCRYRHYGHVUKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-Tert-butyl-4-(4-phenylbut-1-ynyl)benzene 、 a-叠氮基-苯乙酸甲酯 在 silver trifluoromethanesulfonate 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以92%的产率得到methyl 2-(4-(tert-butyl)phenyl)-3-phenethyl-1-phenylcycloprop-2-enecarboxylate
  参考文献：
  名称：

  Silver Triflate-Catalyzed Cyclopropenation of Internal Alkynes with Donor-/Acceptor-Substituted Diazo Compounds

  摘要：

  Silver triflate was found to be an efficient catalyst for the cyclopropenation of internal alkynes using donor-/acceptor-substituted diazo compounds as carbenoid precursors. Highly substituted cyclopropenes, which cannot be synthesized directly via rhodium(II)-catalyzed carbenoid chemistry, can now be readily accessed.

  DOI：

  10.1021/ol201503j

文献信息

• Silver Triflate-Catalyzed Cyclopropenation of Internal Alkynes with Donor-/Acceptor-Substituted Diazo Compounds
  作者：John F. Briones、Huw M. L. Davies

  DOI：10.1021/ol201503j

  日期：2011.8.5

  Silver triflate was found to be an efficient catalyst for the cyclopropenation of internal alkynes using donor-/acceptor-substituted diazo compounds as carbenoid precursors. Highly substituted cyclopropenes, which cannot be synthesized directly via rhodium(II)-catalyzed carbenoid chemistry, can now be readily accessed.
• Gold(I)-Catalyzed Asymmetric Cyclopropenation of Internal Alkynes
  作者：John F. Briones、Huw M. L. Davies

  DOI：10.1021/ja304506g

  日期：2012.7.25

  Highly enantioselective cyclopropenation of internal alkynes with aryldiazoacetates was achieved using the binuclear gold catalyst (S)-xylylBINAP(AuCl)(2), activated by silver hexafluoroantimonate.