1-Hydroxy-4-(4-methoxycarbonylphenyl)butane-1-sulfonic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-Hydroxy-4-(4-methoxycarbonylphenyl)butane-1-sulfonic acid
• 化学式: C₁₂H₁₆O₆S
• 分子量: 288.32
• InChiKey: AJIMKXRZNOHNLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Process for Preparing Pemetrexed Disodium and Its Intermediate, 4-(4-Carbomethoxyphenyl) Butanal
  申请人：Li Jinliang

  公开号：US20110124861A1

  公开（公告）日：2011-05-26

  The present invention provides a process for preparing pemetrexed disodium and its intermediate, 4-(4-carbomethoxyphenyl)butanal. The process for preparing the intermediate comprises the following steps: condensing methyl 4-bromobenzoate with 3-buten-1-ol; extracting with an organic solvent during the work-up; adding silica gel to decolorize; and evaporating the organic solvent to give 4-(4-carbomethoxyphenyl)butanal. The product obtained by the present process, with a yield of higher than 80%, and a purity measured by GC of higher than 95%, may be directly used in the next bromination reaction for synthesizing pemetrexed disodium without purification. The present process is suitable for industrial production, as the operation is simple and the reagents used are cheap and readily available.

  本发明提供了制备培美曲塞二钠及其中间体4-(4-羧甲氧基苯基)丁醛的方法。制备中间体的方法包括以下步骤：将甲基4-溴苯酸酯与3-丁烯-1-醇缩合；在工作过程中用有机溶剂提取；加入硅胶脱色；蒸发有机溶剂得到4-(4-羧甲氧基苯基)丁醛。本方法得到的产物收率高于80%，GC纯度高于95%，可以直接用于下一步溴化反应合成培美曲塞二钠而无需纯化。本方法适用于工业生产，因为操作简单，所使用的试剂便宜且易得。
• US8507716B2
  申请人：——

  公开号：US8507716B2

  公开（公告）日：2013-08-13