2,2-Bis(4-oxopentanoyloxymethyl)butyl 4-oxopentanoate | 702660-20-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 2,2-Bis(4-oxopentanoyloxymethyl)butyl 4-oxopentanoate
• CAS: 702660-20-6
• 化学式: C₂₁H₃₂O₉
• 分子量: 428.48
• InChiKey: QOTYCGRFPXLECA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  30
• 可旋转键数：
  19
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  130
• 氢给体数：
  0
• 氢受体数：
  9

文献信息

• KETOCARBOXYLIC ACIDS, METHODS OF MANUFACTURE AND USES THEREOF
  申请人：MULLEN Brian D.

  公开号：US20120123147A1

  公开（公告）日：2012-05-17

  Ketocarboxylic acids such as levulinic acid can be efficiently purified in high yield by esterification with a hydrocarbon polyol to the corresponding polyketocarboxylic ester, which can be readily purified, for example recrystallized. After purification, the ketocarboxylic ester can be hydrolyzed to provide pure ketocarboxylic acid, or a salt thereof, after removal of the esterifying hydrocarbon polyol, or used for other synthetic transformations. Advantageously, the polyketocarboxylic esters, ketocarboxylic acids, and salts thereof produced by this method are obtained in high purity.

  酮羧酸（如丙酮酸）可以通过与碳氢化合物多元醇酯化来高产率高效纯化，得到相应的多羟基酮羧酸酯，该酯可容易地纯化，例如再结晶。纯化后，酮羧酸酯可以水解以提供纯净的酮羧酸或其盐，在去除酯化碳氢化合物多元醇后，或用于其他合成转化。优点是，通过这种方法生产的多羟基酮羧酸酯、酮羧酸和盐具有高纯度。
• KETOCARBOXYLIC ACIDS, KETOCARBOXYLIC ESTERS, METHODS OF MANUFACTURE AND USES THEREOF
  申请人：SEGETIS, Inc.

  公开号：US20130296601A1

  公开（公告）日：2013-11-07

  Ketocarboxylic acids such as levulinic acid can be efficiently purified in high yield by esterification with a hydrocarbon polyol to the corresponding polyketocarboxylic ester, which can be readily purified, for example recrystallized. After purification, the ketocarboxylic ester can be hydrolyzed to provide pure ketocarboxylic acid, or a salt thereof, after removal of the esterifying hydrocarbon polyol, or used for other synthetic transformations. Advantageously, the polyketocarboxylic esters, ketocarboxylic acids, and salts thereof produced by this method are obtained in high purity.

  酮羧酸，例如丙酮酸，可以通过与烃基聚醇酯化反应形成相应的多酮羧酸酯，高效地、高产地进行纯化，例如再结晶。在纯化后，酮羧酸酯可以水解成纯酮羧酸或其盐，去除酯化的烃基聚醇后，或用于其他合成转化。优点是，通过该方法制备的多酮羧酸酯、酮羧酸及其盐具有高纯度。
• US8507718B2
  申请人：——

  公开号：US8507718B2

  公开（公告）日：2013-08-13
• US9221741B2
  申请人：——

  公开号：US9221741B2

  公开（公告）日：2015-12-29
• [EN] KETOCARBOXYLIC ACIDS, KETOCARBOXYLIC ESTERS, METHODS OF MANUFACTURE AND USES THEREOF<br/>[FR] ACIDES CÉTOCARBOXYLIQUES, ESTERS CÉTOCARBOXYLIQUES, LEURS PROCÉDÉS DE FABRICATION ET LEURS UTILISATIONS
  申请人：SEGETIS INC

  公开号：WO2012065115A2

  公开（公告）日：2012-05-18

  Ketocarboxylic acids such as levulinic acid can be efficiently purified in high yield by esterification with a hydrocarbon polyol to the corresponding polyketocarboxylic ester, which can be readily purified, for example recrystallized. After purification, the ketocarboxylic ester can be hydrolyzed to provide pure ketocarboxylic acid, or a salt thereof, after removal of the esterifying hydrocarbon polyol, or used for other synthetic transformations. Advantageously, the polyketocarboxylic esters, ketocarboxylic acids, and salts thereof produced by this method are obtained in high purity.