(E)-butyl 3-(3-(phenylbuta-1,3-diyn-1-yl)phenyl)acrylate | 1430102-43-4

• 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: (E)-butyl 3-(3-(phenylbuta-1,3-diyn-1-yl)phenyl)acrylate
• 英文别名: butyl (E)-3-[3-(4-phenylbuta-1,3-diynyl)phenyl]prop-2-enoate
• CAS: 1430102-43-4
• 化学式: C₂₃H₂₀O₂
• 分子量: 328.411
• InChiKey: DRGCBCQOQUVTNF-WUKNDPDISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  25
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 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：

  、 potassium 3-phenylpropiolate 在 copper(l) iodide 、 新铜试剂 、 caesium carbonate 作用下， 以 二乙二醇二甲醚 为溶剂， 反应 10.0h， 以83%的产率得到(E)-butyl 3-(3-(phenylbuta-1,3-diyn-1-yl)phenyl)acrylate
  参考文献：
  名称：

  Copper-Catalyzed Decarboxylative Coupling of Alkynyl Carboxylates with 1,1-Dibromo-1-alkenes

  摘要：

  A copper-catalyzed decarboxylative coupling reaction of potassium alkynyl carboxylates with 1,1-dibromo-1-alkenes was developed for the synthesis of unsymmetrical 1,3-diyne and 1,3,5-triyne derivatives. Diverse aryl, alkenyl, alkynyl, and alkyl substituted 1,1-dibromo-1-alkenes can react smoothly with aryl and alkyl substituted propiolates to produce unsymmetrical 1,3-diynes and 1,3,5-triynes with high selectivity and good functional group compatibility.

  DOI：

  10.1021/jo400616r

文献信息

• Copper-Catalyzed Decarboxylative Coupling of Alkynyl Carboxylates with 1,1-Dibromo-1-alkenes
  作者：Zheng Huang、Rui Shang、Zi-Rong Zhang、Xiao-Dan Tan、Xiao Xiao、Yao Fu

  DOI：10.1021/jo400616r

  日期：2013.5.3

  A copper-catalyzed decarboxylative coupling reaction of potassium alkynyl carboxylates with 1,1-dibromo-1-alkenes was developed for the synthesis of unsymmetrical 1,3-diyne and 1,3,5-triyne derivatives. Diverse aryl, alkenyl, alkynyl, and alkyl substituted 1,1-dibromo-1-alkenes can react smoothly with aryl and alkyl substituted propiolates to produce unsymmetrical 1,3-diynes and 1,3,5-triynes with high selectivity and good functional group compatibility.