(1E,3E,5E)-triethyl 4-phenylhexa-1,3,5-triene-1,3,6-tricarboxylate | 1256241-81-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (1E,3E,5E)-triethyl 4-phenylhexa-1,3,5-triene-1,3,6-tricarboxylate
• 英文别名: triethyl (1E,3E,5E)-4-phenylhexa-1,3,5-triene-1,3,6-tricarboxylate
• CAS: 1256241-81-2
• 化学式: C₂₁H₂₄O₆
• 分子量: 372.418
• InChiKey: ZHYYRARGGXIZJZ-MVWGTZATSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  27
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  苯丙炔酸乙酯 、 丙烯酸乙酯 在 氧气 、 potassium carbonate 、 lithium chloride 、 palladium dichloride 作用下， 以 乙腈 为溶剂， 20.0~75.0 ℃ 、101.33 kPa 条件下， 生成 triethyl 4-phenylhexa-1,3,5-triene-1,3,6-tricarboxylate 、 (1E,3E,5E)-triethyl 4-phenylhexa-1,3,5-triene-1,3,6-tricarboxylate
  参考文献：
  名称：

  Highly Chemoselective Palladium-Catalyzed Cross-Trimerization between Alkyne and Alkenes Leading to 1,3,5-Trienes or 1,2,4,5-Tetrasubstituted Benzenes with Dioxygen

  摘要：

  A palladium-catalyzed 1:2 linear/cyclic cross-trimerization of alkyne with alkenes using molecular oxygen as the sole oxidant has been reported for the first time. A series of 1,3,5-trienes and 1,2,4,5-tetrasubstituted benzenes are obtained with high chemoselectivity respectively and mechanisms of these reactions are proposed based on some controlled examination.

  DOI：

  10.1021/jo101554r

文献信息

• Highly Chemoselective Palladium-Catalyzed Cross-Trimerization between Alkyne and Alkenes Leading to 1,3,5-Trienes or 1,2,4,5-Tetrasubstituted Benzenes with Dioxygen
  作者：Peng Zhou、Liangbin Huang、Huanfeng Jiang、Azhong Wang、Xianwei Li

  DOI：10.1021/jo101554r

  日期：2010.12.3

  A palladium-catalyzed 1:2 linear/cyclic cross-trimerization of alkyne with alkenes using molecular oxygen as the sole oxidant has been reported for the first time. A series of 1,3,5-trienes and 1,2,4,5-tetrasubstituted benzenes are obtained with high chemoselectivity respectively and mechanisms of these reactions are proposed based on some controlled examination.