2-acetyl-5-hydroxyphenyl 4-methylbenzoate | 1254952-11-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 2-acetyl-5-hydroxyphenyl 4-methylbenzoate
• 英文别名: (2-Acetyl-5-hydroxyphenyl) 4-methylbenzoate
• CAS: 1254952-11-8
• 化学式: C₁₆H₁₄O₄
• 分子量: 270.285
• InChiKey: COPYJYLBIAHXOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,4-二羟基苯乙酮 、 对二甲苯 在 叔丁基过氧化氢 、 copper(II) acetate monohydrate 作用下， 以 癸烷 为溶剂， 反应 4.5h， 以55%的产率得到2-acetyl-5-hydroxyphenyl 4-methylbenzoate
  参考文献：
  名称：

  Directing Group Assisted Copper-Catalyzed Chemoselective O-Aroylation of Phenols and Enols Using Alkylbenzenes

  摘要：

  By using alkylbenzenes as aroyl surrogates, copper(II) catalyzed chemoselective O-aroylations of 1,3-dicarbonyl compounds and phenolic -OH ortho to carbonyl (-CHO, -COR) groups have been achieved. A dual mechanism operating in tandem for these transformations has been supported by a crossover experiment.

  DOI：

  10.1021/ol401682a

文献信息

• Copper-catalyzed chemoselective oxidative o-aroylation of 2-acetylphenols, alkyl salicylates and 1,3-dicarbonyl compounds using styrene derivatives
  作者：Upendra Kumar、Ajay Sharma、Naveen Kumar、Satyendra Kumar Pandey

  DOI：10.1016/j.tet.2021.132000

  日期：2021.3

  copper-catalyzed chemoselective oxidative O-aroylation of 2-acetylphenols, alkyl salicylates and 1,3-dicarbonyl compounds with a wide range of styrene derivatives are described. This approach provides an efficient chemoselective preparation of phenol, alkyl salicylate and enol esters in good to excellent yields. This method represents an alternative protocol for the classical esterification reactions.

  描述了新颖的铜催化的2-乙酰基酚，烷基水杨酸酯和1，3-二羰基化合物与广泛的苯乙烯衍生物的化学选择性氧化O-芳酰基化。该方法以良好或优异的产率提供了苯酚，水杨酸烷基酯和烯醇酯的有效化学选择性制备。该方法代表了经典酯化反应的替代方案。
• Catecholamine esters
  申请人：ZAMBON GROUP S.p.A.

  公开号：EP0393782A2

  公开（公告）日：1990-10-24

  A compound of formula (wherein R, R₁ and R₂ have the meanings given in the description), salts thereof with pharmaceutically acceptable organic or inorganic acids, process and intermediates for the preparation thereof and a pharmaceutical composition containing said compound are described. The compounds of formula I and the salts thereof are useful in the treatment of heart and renal deases.

  一种式化合物 (其中 R、R₁ 和 R₂ 的含义如说明书所述）、 描述了其与药学上可接受的有机酸或无机酸的盐、其制备工艺和中间体以及含有所述化合物的药物组合物。 式 I 化合物及其盐类可用于治疗心脏病和肾病。