isopropyl 4-phenyl-3-butynoate | 107939-52-6

• 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: isopropyl 4-phenyl-3-butynoate
• 英文别名: isopropyl 4-phenylbut-3-ynoate；Propan-2-yl 4-phenylbut-3-ynoate；propan-2-yl 4-phenylbut-3-ynoate
• CAS: 107939-52-6
• 化学式: C₁₃H₁₄O₂
• 分子量: 202.253
• InChiKey: STCWVHZZIZPACT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 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：

  氯乙酸异丙酯 、 (苯乙炔基)三氟硼酸钾 在 potassium phosphate 、 XPhos Pd G2 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 水 、 甲苯 为溶剂， 反应 18.0h， 以84%的产率得到isopropyl 4-phenyl-3-butynoate
  参考文献：
  名称：

  Pd-Catalyzed Alkynylation of 2-Chloroacetates and 2-Chloroacetamides with Potassium Alkynyltrifluoroborates

  摘要：

  The synthesis of beta,gamma-alkynyl esters and amides using air-stable potassium alkynyltrifluoroborates as nucleophilic partners in a mild Suzuki-Miyaura cross-coupling reaction has been achieved. Propargyl esters and amides were obtained In high yields using a low catalyst loading, and the substrate scope of the reaction has been significantly improved over previous methods.

  DOI：

  10.1021/ol402391z

文献信息

• Pd-Catalyzed Alkynylation of 2-Chloroacetates and 2-Chloroacetamides with Potassium Alkynyltrifluoroborates
  作者：Gary A. Molander、Kaitlin M. Traister

  DOI：10.1021/ol402391z

  日期：2013.10.4

  The synthesis of beta,gamma-alkynyl esters and amides using air-stable potassium alkynyltrifluoroborates as nucleophilic partners in a mild Suzuki-Miyaura cross-coupling reaction has been achieved. Propargyl esters and amides were obtained In high yields using a low catalyst loading, and the substrate scope of the reaction has been significantly improved over previous methods.