methyl 3-methyl-5-oxo-2-(3,4,5-trimethoxybenzoyl)pentanoate | 1345834-45-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 3-methyl-5-oxo-2-(3,4,5-trimethoxybenzoyl)pentanoate
• 英文别名: Methyl 3-methyl-5-oxo-2-(3,4,5-trimethoxybenzoyl)pentanoate
• CAS: 1345834-45-8
• 化学式: C₁₇H₂₂O₇
• 分子量: 338.357
• InChiKey: JTLSHWGVQGUUJS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  88.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  三乙胺 、 3-氧代-3-(3,4,5-三甲氧基苯基)丙酸甲酯 在 叔丁基过氧化氢 、 diiron nonacarbonyl 作用下， 以 癸烷 为溶剂， 反应 0.17h， 以62%的产率得到methyl 3-methyl-5-oxo-2-(3,4,5-trimethoxybenzoyl)pentanoate
  参考文献：
  名称：

  Iron-Catalyzed Oxidation of Tertiary Amines: Synthesis of β-1,3-Dicarbonyl Aldehydes by Three-Component C–C Couplings

  摘要：

  beta-1,3-Dicarbonyl aldehydes were synthesized by iron-catalyzed oxidative reactions between 1,3-dicarbonyl compounds and two molecules of tertiary amines in the presence of tert-butyl hydroperoxide (TBHP). alpha,beta-Unsaturated aldehydes generated by tertiary amine oxidation In situ act as key intermediates under mild reaction conditions.

  DOI：

  10.1021/ol202749x

文献信息

• Iron-Catalyzed Oxidation of Tertiary Amines: Synthesis of β-1,3-Dicarbonyl Aldehydes by Three-Component C–C Couplings
  作者：Weiping Liu、Jinhua Liu、Daisuke Ogawa、Yasushi Nishihara、Xingwei Guo、Zhiping Li

  DOI：10.1021/ol202749x

  日期：2011.12.2

  beta-1,3-Dicarbonyl aldehydes were synthesized by iron-catalyzed oxidative reactions between 1,3-dicarbonyl compounds and two molecules of tertiary amines in the presence of tert-butyl hydroperoxide (TBHP). alpha,beta-Unsaturated aldehydes generated by tertiary amine oxidation In situ act as key intermediates under mild reaction conditions.