(2E,4E,6E)-bis(2-hydroxyethyl) 4-(4-fluorobenzoyl)-5-phenylocta-2,4,6-trienedioate | 1256241-88-9

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: (2E,4E,6E)-bis(2-hydroxyethyl) 4-(4-fluorobenzoyl)-5-phenylocta-2,4,6-trienedioate
• 英文别名: bis(2-hydroxyethyl) (2E,4E,6E)-4-(4-fluorobenzoyl)-5-phenylocta-2,4,6-trienedioate
• CAS: 1256241-88-9
• 化学式: C₂₅H₂₃FO₇
• 分子量: 454.452
• InChiKey: IQOQAYUXMTXOPM-ANYLEIQHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  33
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-(4-氟苯基)-3-苯基-2-丙炔-1-酮 、 丙烯酸羟乙酯 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， 以85%的产率得到(2E,4E,6E)-bis(2-hydroxyethyl) 4-(4-fluorobenzoyl)-5-phenylocta-2,4,6-trienedioate
  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.