potassium 3-(3-chlorophenyl)propiolate | 1430102-49-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: potassium 3-(3-chlorophenyl)propiolate
• 英文别名: Potassium;3-(3-chlorophenyl)prop-2-ynoate；potassium;3-(3-chlorophenyl)prop-2-ynoate
• CAS: 1430102-49-0
• 化学式: C₉H₄ClO₂*K
• 分子量: 218.681
• InChiKey: MXPKOQHXDFFORA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.55
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,1-二溴-2-(4-氰基苯基)乙烯 、 potassium 3-(3-chlorophenyl)propiolate 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54%的产率得到4-((3-chlorophenyl)buta-1,3-diyn-1-yl)benzonitrile
  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.