3-乙酰氧基-4-羟基苯甲酸乙酯 | 82217-54-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-乙酰氧基-4-羟基苯甲酸乙酯
• 英文名称: ethyl-3-acetoxy-4-hydroxybenzoate
• 英文别名: 3-acetoxy-4-hydroxy-benzoic acid ethyl ester；ethyl 3-acetyloxy-4-hydroxybenzoate
• CAS: 82217-54-7
• 化学式: C₁₁H₁₂O₅
• 分子量: 224.213
• InChiKey: DASIXFZHFSHUED-UHFFFAOYSA-N

物化性质

• 沸点：
  355.9±32.0 °C(Predicted)
• 密度：
  1.246±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-乙酰氧基-4-羟基苯甲酸乙酯 在 potassium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 4-苄氧基-3-羟基苯甲酸乙酯
  参考文献：
  名称：

  [EN] ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS
  [FR] DÉRIVÉS CYCLIQUES ACYLAMINO-SUBSTITUÉS DE L'ACIDE CARBOXYLIQUE ET LEUR UTILISATION EN TANT QUE PRODUITS PHARMACEUTIQUES

  摘要：

  本发明涉及式(I)的化合物，其中A、Y、Z、R20至R22和R50具有索引中指示的含义，这些化合物是有价值的药用活性化合物。具体来说，它们是内皮分化基因受体2（Edg-2，EDG2）的抑制剂，该受体被溶血磷脂酸（LPA）激活，也被称为LPA1受体，对于治疗动脉粥样硬化、心肌梗死和心力衰竭等疾病是有用的。此外，本发明还涉及制备式(I)化合物的方法、它们的用途以及包含它们的药物组合物。

  公开号：

  WO2011053948A1
• 作为产物：
  描述：

  3,4-二羟基苯甲酸乙酯 在 吡啶 、 5%-palladium/activated carbon 、 氢气 、 potassium carbonate 、 potassium iodide 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 26.0h， 生成 ethyl 4-acetoxy-3-hydroxybenzoate 、 3-乙酰氧基-4-羟基苯甲酸乙酯
  参考文献：
  名称：

  Flavonoid metabolism: the synthesis of phenolic glucuronides and sulfates as candidate metabolites for bioactivity studies of dietary flavonoids

  摘要：

  Epidemiological studies indicate that flavonoid intake is inversely associated with the risk of coronary heart disease, yet the mechanisms responsible for their bioactivity are still a matter of debate. Based on the rapid and extensive metabolism of most flavonoids, their health effects most likely result from the biological activity of their metabolites. However, a lack of commercially available compounds/standards has prevented the study of metabolite bioactivity and resulted in a focus on non-physiologically relevant precursor/parent structures. This paper details the synthesis of a series of phenolic glucuronide 1a-e and sulfate 2a-e derivates as candidate metabolites for use as reference compounds in metabolic profiling studies and for the exploration of flavonoid bioactivity. (C) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2012.03.100

文献信息

• ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS
  申请人：SCHAEFER Matthias

  公开号：US20110152290A1

  公开（公告）日：2011-06-23

  The present invention relates to compounds of the formula I, wherein A, Y, Z, R 3 to R 6 , R 20 to R 22 and R 50 have the meanings indicated in the claims, which are valuable pharmaceutical active compounds. Specifically, they are inhibitors of the endothelial differentiation gene receptor 2 (Edg-2, EDG2), which is activated by lysophosphatidic acid (LPA) and is also termed as LPA 1 receptor, and are useful for the treatment of diseases such as atherosclerosis, myocardial infarction and heart failure, for example. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use and pharmaceutical compositions comprising them.

  本发明涉及式I的化合物，其中A、Y、Z、R3至R6、R20至R22和R50具有所述权利要求中指示的含义，这些化合物是有价值的药物活性化合物。具体来说，它们是内皮分化基因受体2（Edg-2，EDG2）的抑制剂，该受体被溶血磷脂酸（LPA）激活，也称为LPA1受体，可用于治疗动脉粥样硬化、心肌梗塞和心力衰竭等疾病。本发明还涉及制备式I化合物的方法、它们的用途以及包含它们的药物组合物。
• ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS
  申请人：PERNERSTORFER Josef

  公开号：US20120264790A1

  公开（公告）日：2012-10-18

  The present invention relates to compounds of the formula I, wherein A, Y, Z, R 20 to R 22 and R 50 have the meanings indicated in the claims, which are valuable pharmaceutical active compounds. Specifically, they are inhibitors of the endothelial differentiation gene receptor 2 (Edg-2, EDG2), which is activated by lysophosphatidic acid (LPA) and is also termed as LPA 1 receptor, and are useful for the treatment of diseases such as atherosclerosis, myocardial infarction and heart failure, for example. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use and pharmaceutical compositions comprising them.

  本发明涉及公式I的化合物，其中A、Y、Z、R20至R22和R50在权利要求中所示，它们是有价值的药物活性化合物。具体来说，它们是内皮分化基因受体2（Edg-2、EDG2）的抑制剂，该受体被溶血磷脂酸（LPA）激活，也被称为LPA1受体，可用于治疗动脉粥样硬化、心肌梗死和心力衰竭等疾病。本发明还涉及制备公式I化合物的方法，它们的用途以及包含它们的药物组合物。
• Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals
  申请人：Schaefer Matthias

  公开号：US08362073B2

  公开（公告）日：2013-01-29

  The present invention relates to compounds of the formula I, wherein A, Y, Z, R3 to R6, R20 to R22 and R50 have the meanings indicated in the claims, which are valuable pharmaceutical active compounds. Specifically, they are inhibitors of the endothelial differentiation gene receptor 2 (Edg-2, EDG2), which is activated by lysophosphatidic acid (LPA) and is also termed as LPA1 receptor, and are useful for the treatment of diseases such as atherosclerosis, myocardial infarction and heart failure, for example. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use and pharmaceutical compositions comprising them.

  本发明涉及公式I的化合物，其中A，Y，Z，R3至R6，R20至R22和R50具有所述索引中指示的含义，它们是有价值的药物活性化合物。具体来说，它们是内皮分化基因受体2（Edg-2，EDG2）的抑制剂，该受体被溶血磷脂酸（LPA）激活，也称为LPA1受体，对于治疗动脉粥样硬化、心肌梗死和心力衰竭等疾病有用。本发明还涉及制备公式I化合物的方法、它们的使用以及包含它们的药物组合物。
• Acylamino-substituted cyclic carboxylic acid derivatives and their use as pharmaceuticals
  申请人：Pernerstorfer Josef

  公开号：US08618304B2

  公开（公告）日：2013-12-31

  The present invention relates to compounds of the formula I, wherein A, Y, Z, R20 to R22 and R50 have the meanings indicated in the claims, which are pharmaceutically active compounds. Specifically, they are inhibitors of the endothelial differentiation gene receptor 2 (Edg-2, EDG2), which is activated by lysophosphatidic acid (LPA) and is also termed as LPA1 receptor, and are useful for the treatment of diseases such as atherosclerosis, myocardial infarction and heart failure, for example. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use and pharmaceutical compositions comprising them.

  本发明涉及式I化合物，其中A、Y、Z、R20至R22和R50具有声明中指定的含义，它们是具有药理活性的化合物。具体而言，它们是内皮分化基因受体2（Edg-2，EDG2）的抑制剂，该受体由溶血磷脂酸（LPA）激活，也称为LPA1受体，可用于治疗动脉粥样硬化、心肌梗死和心力衰竭等疾病。本发明还涉及式I化合物的制备方法、它们的用途以及包含它们的制药组合物。
• On the conversion of 1-glutamate to 1-dopa
  作者：Samuel Danishefsky、Todd A. Craig

  DOI：10.1016/s0040-4020(01)93283-1

  日期：——