ethyl 4-(4-(tert-butyl)phenyl)-2-isopropyl-4-oxobutanoate | 1522362-04-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ethyl 4-(4-(tert-butyl)phenyl)-2-isopropyl-4-oxobutanoate
• CAS: 1522362-04-4
• 化学式: C₁₉H₂₈O₃
• 分子量: 304.43
• InChiKey: LPVYFLGKHZDAAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.39
• 重原子数：
  22.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  2-溴代异戊酸乙酯 、 4-叔丁基苯乙烯 在 叔丁基过氧化氢 、 三乙胺 、 cobalt acetylacetonate 作用下， 以 水 为溶剂， 反应 24.0h， 以72%的产率得到ethyl 4-(4-(tert-butyl)phenyl)-2-isopropyl-4-oxobutanoate
  参考文献：
  名称：

  Co-Catalyzed Synthesis of 1,4-Dicarbonyl Compounds Using TBHP Oxidant

  摘要：

  A Co-catalyzed reaction for the construction of 1,4-dicarbonyls has been reported in which cascade organo-cobalt addition/trapping/Kornblum-DeLaMare rearrangement were involved. In view of the easy availability of starting materials, wide substrate scope, high functionality tolerance, and operational simplicity, this protocol constituted a simple, practical, and powerful alternative compared with previous approaches.

  DOI：

  10.1021/ol5004687

文献信息

• Visible-Light-Mediated Oxidative Coupling of Vinylarenes with Bromocarboxylates Leading to γ-Ketoesters
  作者：Xing-Xiao Fang、Peng-Fei Wang、Wei Yi、Wei Chen、Sheng-Chun Lou、Gong-Qing Liu

  DOI：10.1021/acs.joc.9b02310

  日期：2019.12.6

  A photocatalytic strategy for the synthesis of gamma-ketoesters was reported. Using DMSO as both the solvent and terminal oxidant, oxidative coupling of vinylarenes with bromocarboxylates proceeded readily, giving a variety of gamma-ketoesters in good isolated yields and with a broad functional-group tolerance.