4-[3-(4-methoxyphenyl)-3-oxo-propenyl]benzoic acid | 106315-53-1

• 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
• 英文名称: 4-[3-(4-methoxyphenyl)-3-oxo-propenyl]benzoic acid
• 英文别名: 3-(4-carboxyphenyl)-1-(4-methoxyphenyl)propenone；4-methoxyphenyl 4-carboxystyryl ketone；4-Carboxy-4'-methoxychalcone；4-[3-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoic acid
• CAS: 106315-53-1
• 化学式: C₁₇H₁₄O₄
• 分子量: 282.296
• InChiKey: GQUJUYRCDKOOAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[3-(4-methoxyphenyl)-3-oxo-propenyl]benzoic acid 在 草酰氯 、 二苯硫醚 、 palladium on activated charcoal 、 氢气 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 44.0h， 生成 4-[3-(4-methoxyphenyl)-3-oxopropyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
  参考文献：
  名称：

  芳酮和芳酰胺类化合物及其制法和药物用途

  摘要：

  本发明公开了式I化合物所示新的芳酮和芳酰胺类化合物，其顺反异构体及生理上可接受的盐，溶剂化物以及结晶形式，所述化合物的制备方法，含有所述化合物的药物制剂，以及所述化合物在治疗与蛋白酪氨酸磷酸酯1B相关疾病的临床中的应用。

  公开号：

  CN102382076B
• 作为产物：
  描述：

  对醛基苯甲酸 、 对甲氧基苯乙酮 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 15.25h， 以70.9%的产率得到4-[3-(4-methoxyphenyl)-3-oxo-propenyl]benzoic acid
  参考文献：
  名称：

  芳酮和芳酰胺类化合物及其制法和药物用途

  摘要：

  本发明公开了式I化合物所示新的芳酮和芳酰胺类化合物，其顺反异构体及生理上可接受的盐，溶剂化物以及结晶形式，所述化合物的制备方法，含有所述化合物的药物制剂，以及所述化合物在治疗与蛋白酪氨酸磷酸酯1B相关疾病的临床中的应用。

  公开号：

  CN102382076B

文献信息

• 具有抗炎活性的查尔酮类衍生物及其合成方法和应用
  申请人：湖北科技学院

  公开号：CN115304513A

  公开（公告）日：2022-11-08

  本发明涉及具有抗炎活性的查尔酮类衍生物及其合成方法和应用。本发明首次创造性的设计合成出一类结构新颖的查尔酮类衍生物，其在本领域和现有文献中尚未被报道，且其中的大多数化合物均具有较强的抗炎活性，可在制备抗炎药物中应用。本发明所述查尔酮类衍生物的结构式如下：
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