dimethyl 2-[(2E,5E)-5-benzylidenehept-2-enyl]malonate | 1448877-59-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: dimethyl 2-[(2E,5E)-5-benzylidenehept-2-enyl]malonate
• 英文别名: dimethyl 2-[(E,5E)-5-benzylidenehept-2-enyl]propanedioate
• CAS: 1448877-59-5
• 化学式: C₁₉H₂₄O₄
• 分子量: 316.397
• InChiKey: YBBUOWVTUQJYCJ-IDRAWEHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  23
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.37
• 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：

  三乙基硼 、 2-乙烯基环丙烷-1,1-二羧酸二甲酯 、 苯乙炔 在 bis(acetylacetonato)palladium(II) 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 72.0h， 以74%的产率得到dimethyl 2-[(2E,5E)-5-benzylidenehept-2-enyl]malonate
  参考文献：
  名称：

  Palladium-CATALYZED TANDEM COUPLING REACTION OF ALKYNE, CONJUGATED DIENE, AND TRIETHYLBORANE

  摘要：

  Pd(0) catalyst promotes three-component coupling reactions of allylic alcohols and vinylcyclopropanes with terminal alkynes and triethylborane to provide (E)-1-substituted 2-ethyl-1,4-pentadienes and (E)-1-substituted 2-ethyl-1,4-heptadienes involving geminal ethylation and allylation at the acetylenic terminal carbon atom with high regio- and stereoselectivities. 1,3-Butadiene and bis-dienes can act as allylating agents to undergo the multi-component coupling reactions, accompanied by dimerization of the diene moieties, to provide 1,4,9-decatrienes and pyrrolidines with excellent regio- and stereoselectivities.

  DOI：

  10.3987/com-12-s(n)70

文献信息

• Palladium-CATALYZED TANDEM COUPLING REACTION OF ALKYNE, CONJUGATED DIENE, AND TRIETHYLBORANE
  作者：Masanari Kimura、Daiki Takushima、Masahiro Fukushima、Hideaki Satomura、Gen Onodera

  DOI：10.3987/com-12-s(n)70

  日期：——

  Pd(0) catalyst promotes three-component coupling reactions of allylic alcohols and vinylcyclopropanes with terminal alkynes and triethylborane to provide (E)-1-substituted 2-ethyl-1,4-pentadienes and (E)-1-substituted 2-ethyl-1,4-heptadienes involving geminal ethylation and allylation at the acetylenic terminal carbon atom with high regio- and stereoselectivities. 1,3-Butadiene and bis-dienes can act as allylating agents to undergo the multi-component coupling reactions, accompanied by dimerization of the diene moieties, to provide 1,4,9-decatrienes and pyrrolidines with excellent regio- and stereoselectivities.