2-甲基-2-[4-(3-氧代-3-苯基-丙烯基)-苯氧基]-丙酸乙酯 | 62187-18-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 中文名称: 2-甲基-2-[4-(3-氧代-3-苯基-丙烯基)-苯氧基]-丙酸乙酯
• 英文名称: 2-methyl-2-[4-(3-oxo-3-phenyl-propenyl)-phenoxy]-propionic acid ethyl ester
• 英文别名: Ethyl 2-[4-(2-benzoylethenyl)phenoxy]-2,2-dimethylacetate；ethyl 2-methyl-2-[4-(3-oxo-3-phenylprop-1-enyl)phenoxy]propanoate
• CAS: 62187-18-2
• 化学式: C₂₁H₂₂O₄
• 分子量: 338.403
• InChiKey: HACNLGLTECVSEL-UHFFFAOYSA-N

物化性质

• 沸点：
  478.0±45.0 °C(Predicted)
• 密度：
  1.128±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-溴-2-甲基丙酸乙酯 、 2-羟基查耳酮 在 potassium carbonate 作用下， 以 4-甲基-2-戊酮 为溶剂， 以45.23%的产率得到2-甲基-2-[4-(3-氧代-3-苯基-丙烯基)-苯氧基]-丙酸乙酯
  参考文献：
  名称：

  Synthesis and antidyslipidemic activity of chalcone fibrates

  摘要：

  A series of chalcone based PPAR-alpha agonists were synthesized and evaluated for their antidyslipidemic activity in high fructose high fat fed dyslipidemic Syrian golden hamsters. Most of the compounds exhibited antidyslipidemic activity. The compounds 4c and 4f have been identified as most potent antidyslipidemics. A definite structure-activity relationship was observed while varying the nature as well as the position of the substituent. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.057

文献信息

• Phenoxyldialkyl acetic acids and esters
  申请人：G. D. Searle & Co.

  公开号：US04163859A1

  公开（公告）日：1979-08-07

  The present invention encompasses compounds of the formula ##STR1## wherein R.sup.1 and R.sup.2 are independently an alkyl radical containing from 1 to 2 carbon atoms and R.sup.3 is hydrogen or an alkyl radical containing from 1 to 7 carbon atoms, sodium, potassium, or ammonium cation. The compounds of the present invention are prepared by the condensation of alkyl(4-formylphenoxy)-2,2-dialkylacetate with acetophenone in basic medium. These compounds are potent hypolipemic agents as well as antifungal and antibacterial agents.

  本发明涵盖了以下式子的化合物：##STR1## 其中R.sup.1和R.sup.2分别是含有1至2个碳原子的烷基基团，而R.sup.3是氢原子或含有1至7个碳原子的烷基基团，钠、钾或铵阳离子。本发明的化合物是通过在碱性介质中将烷基（4-甲酰基苯氧基）-2,2-二烷基乙酸酯与苯乙酮缩合而制备的。这些化合物是强效的降脂药物，同时也是抗真菌和抗菌药物。
• Synthesis and antidyslipidemic activity of chalcone fibrates
  作者：Poonam Shukla、Swayam P. Srivastava、Rohit Srivastava、Arun K. Rawat、Arvind K. Srivastava、Ram Pratap

  DOI：10.1016/j.bmcl.2011.03.057

  日期：2011.6

  A series of chalcone based PPAR-alpha agonists were synthesized and evaluated for their antidyslipidemic activity in high fructose high fat fed dyslipidemic Syrian golden hamsters. Most of the compounds exhibited antidyslipidemic activity. The compounds 4c and 4f have been identified as most potent antidyslipidemics. A definite structure-activity relationship was observed while varying the nature as well as the position of the substituent. (C) 2011 Elsevier Ltd. All rights reserved.