4-(4-(tert-butyl)phenyl)-2-methyl-1-phenylbutane-1,4-dione | 1522362-19-1

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: 4-(4-(tert-butyl)phenyl)-2-methyl-1-phenylbutane-1,4-dione
• 英文别名: 4-(4-Tert-butylphenyl)-2-methyl-1-phenylbutane-1,4-dione；4-(4-tert-butylphenyl)-2-methyl-1-phenylbutane-1,4-dione
• CAS: 1522362-19-1
• 化学式: C₂₁H₂₄O₂
• 分子量: 308.42
• InChiKey: LQACTGFYZKWBIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-叔丁基苯乙烯 、 2-溴苯丙酮 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60%的产率得到4-(4-(tert-butyl)phenyl)-2-methyl-1-phenylbutane-1,4-dione
  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

• Co-Catalyzed Synthesis of 1,4-Dicarbonyl Compounds Using TBHP Oxidant
  作者：Feng Zhang、Peng Du、Jijun Chen、Hongxiang Wang、Qiang Luo、Xiaobing Wan

  DOI：10.1021/ol5004687

  日期：2014.4.4

  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.