2'-propanoyloxyacetophenone | 97139-96-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2'-propanoyloxyacetophenone
• 英文别名: o-Hydroxy-propanyl-aceto-phenon；(2-Acetylphenyl) propanoate
• CAS: 97139-96-3
• 化学式: C₁₁H₁₂O₃
• 分子量: 192.214
• InChiKey: QVAQZTAHVBDYAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2'-propanoyloxyacetophenone 在 potassium tert-butylate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以83%的产率得到1-(2-羟基苯基)戊烷-1,3-二酮
  参考文献：
  名称：

  A New Metal Complex Promoted System for Highly Selective Synthesis of 4H-Chromen-4-ones (Chromones)

  摘要：

  CoIII(salpr)(OH)是一种六配位钴席夫碱配合物，它能在中性条件下促进 1-（邻羟基芳基）-1,3-二酮向 4H-色烯-4-酮的高选择性转化。

  DOI：

  10.1055/s-1992-26241
• 作为产物：
  描述：

  丙酰氯 、 2'-羟基苯乙酮 以 N,N-二甲基甲酰胺 为溶剂， 生成 2'-propanoyloxyacetophenone
  参考文献：
  名称：

  A New Metal Complex Promoted System for Highly Selective Synthesis of 4H-Chromen-4-ones (Chromones)

  摘要：

  CoIII(salpr)(OH)是一种六配位钴席夫碱配合物，它能在中性条件下促进 1-（邻羟基芳基）-1,3-二酮向 4H-色烯-4-酮的高选择性转化。

  DOI：

  10.1055/s-1992-26241

文献信息

• Structure–activity relationship studies of flavonoids as potent inhibitors of human platelet 12-hLO, reticulocyte 15-hLO-1, and prostate epithelial 15-hLO-2
  作者：Yesseny Vasquez-Martinez、Rachana V. Ohri、Victor Kenyon、Theodore R. Holman、Silvia Sepúlveda-Boza

  DOI：10.1016/j.bmc.2007.07.036

  日期：2007.12

  Human lipoxygenase (hLO) isozymes have been implicated in a number of disease states and have attracted much attention with respect to their inhibition. One class of inhibitors, the flavonoids, have been shown to be potent lipoxygenase inhibitors but their study has been restricted to those compounds found in nature, which have limited structural variability. We have therefore carried out a comprehensive study to determine the structural requirements for flavonoid potency and selectivity against platelet 12-hLO, reticulocyte 15-hLO-1, and prostate epithelial 15-hLO-2. We conclude from this study that catechols are essential for high potency, that isoflavones and isoflavanones tend to select against 12-hLO, that isoflavans tend to select against 15-hLO-1, but few flavonoids target 15-hLO-2. (C) 2007 Elsevier Ltd. All rights reserved.
• A Convenient Synthesis of 2- and 2,3-Substituted 4<i>H</i>-Chromen-4-ones
  作者：Ichiro Hirao、Masahiko Yamaguchi、Michiyuki Hamada

  DOI：10.1055/s-1984-31089

  日期：——
• Decoupling Activation of Heme Biosynthesis from Anaerobic Toxicity in a Molecule Active in <i>Staphylococcus aureus</i>
  作者：Brendan F. Dutter、Laura A. Mike、Paul R. Reid、Katherine M. Chong、Susan J. Ramos-Hunter、Eric P. Skaar、Gary A. Sulikowski

  DOI：10.1021/acschembio.5b00934

  日期：2016.5.20

  Small molecules active in the pathogenic bacterium Staphylococcus aureus are valuable tools for the study of its basic biology and pathogenesis, and many molecules may provide leads for novel therapeutics. We have previously reported a small molecule, 1, which activates endogenous heme biosynthesis in S. aureus, leading to an accumulation of intracellular heme. In addition to this novel activity, 1 also exhibits toxicity towards S. aureus growing under fermentative conditions. To determine if these activities are linked and establish what features of the molecule are required for activity, we synthesized a library of analogs around the structure of 1 and screened them for activation of heme biosynthesis and anaerobic toxicity to investigate structure activity relationships. The results of this analysis suggest that these activities are not linked. Furthermore, we have identified the structural features that promote each activity and have established two classes of molecules: activators of heme biosynthesis and inhibitors of anaerobic growth. These molecules will serve as useful probes for their respective activities without concern for the off target effects of the parent compound.
• Jumbam; Yedwa; Masamba, Bulletin of the Chemical Society of Ethiopia, 2011, vol. 25, # 1, p. 157 - 160
  作者：Jumbam、Yedwa、Masamba

  DOI：——

  日期：——
• HIRAO, ICHIRO;YAMAGUCHI, MASAHIKO;HAMADA, MICHIYUKI, SYNTHESIS, BRD, 1984, N 12, 1076-1078
  作者：HIRAO, ICHIRO、YAMAGUCHI, MASAHIKO、HAMADA, MICHIYUKI

  DOI：——

  日期：——