1-Propanoyloxypropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1-Propanoyloxypropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate
• 英文别名: 1-propanoyloxypropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate
• 化学式: C₁₉H₂₈O₄
• 分子量: 320.4
• InChiKey: RJPXPKOCVILTIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  23
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• IBUPROFEN-BASED COMPOUND, PREPARATION METHOD, USE, AND FORMULATION OF THE SAME
  申请人：Su Qing

  公开号：US20140112978A1

  公开（公告）日：2014-04-24

  Disclosed are compounds based on ibuprofen, their preparation methods, uses and pharmaceutical preparation. The compounds have structures shown as formula (1), wherein, m, n are integers and fulfill the requirements of 0≦n≦6, 0≦m≦6, respectively. The preparation methods for the compounds based on ibuprofen are as follows: contacting and reacting 2-(4-isobutyl-phenyl) propionic acid to have contact reaction with a solution of an organic acid ester in the presence of a catalyst under substitution reaction conditions The present compounds can be used to prepare nonsteroidal anti-inflammatory drugs. The preparation can be preparation of fat emulsion, liposome, and dried emulsion and so on.

  揭示了基于布洛芬的化合物，它们的制备方法，用途和药物制备。这些化合物的结构如公式（1）所示，其中m，n为整数，满足0≦n≦6，0≦m≦6的要求。基于布洛芬的化合物的制备方法如下：将2-(4-异丁基苯基)丙酸与有机酸酯溶液在催化剂存在下进行接触反应，以取代反应条件。这些化合物可用于制备非甾体抗炎药。制备可以是脂肪乳剂、脂质体、干燥乳剂等。