ethyl 4-(2-oxobutyl)benzoate | 1232578-63-0

• 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: ethyl 4-(2-oxobutyl)benzoate
• 英文别名: Ethyl 4-(2-oxobutyl)benzoate
• CAS: 1232578-63-0
• 化学式: C₁₃H₁₆O₃
• 分子量: 220.268
• InChiKey: OCBWAUGGKMFSLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对碘苯甲酸乙酯 、 3,5-庚烷二酮 在 copper(l) iodide 、 potassium phosphate monohydrate 作用下， 以 二甲基亚砜 为溶剂， 反应 20.0h， 以70%的产率得到ethyl 4-(2-oxobutyl)benzoate
  参考文献：
  名称：

  Copper Catalyzed Arylation/C−C Bond Activation: An Approach toward α-Aryl Ketones

  摘要：

  An efficient arylation/C-C activation process was discovered. beta-Diketones with aryl halides (aryl iodides and aryl bromides) could undergo reaction smoothly in the presence of Cu(I) or Cu(II) salts in DMSO using K3PO4 center dot 3H(2)O without ligands. The role of H2O was unprecedented, which assisted the C-C activation. Various a-aryl ketones could be efficiently synthesized by this novel method. In situ monitoring of the formation of KOAc and experimentation relating to "a classic diagnostic technique for the participation of radical anion intermediates" revealed the preliminary mechanistic information for the reaction. This method is simple, general, and practical which complemented the classic method for the rapid construction of C-C bonds to a carbonyl moiety.

  DOI：

  10.1021/ja1033777

文献信息

• HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS
  申请人：Nuvation Bio Inc.

  公开号：US20210292285A1

  公开（公告）日：2021-09-23

  Aminopyrazine compounds as modulators of an adenosine receptor are provided. The compounds may find use as therapeutic agents for the treatment of diseases mediated through a G-protein-coupled receptor signaling pathway and may find particular use in oncology.