Methyl 3alpha,7alpha-diacetoxy-12alpha-hydroxycholanate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: Methyl 3alpha,7alpha-diacetoxy-12alpha-hydroxycholanate
• 英文别名: methyl (4R)-4-[(3R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7-diacetyloxy-12-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
• 化学式: C₂₉H₄₆O₇
• 分子量: 506.7
• InChiKey: VKXXPYARELKQOY-DEYWDMJGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  99.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Methyl 3alpha,7alpha-diacetoxy-12alpha-hydroxycholanate 、 sodium hypochlorite 在 hydroxyl 作用下， 以to give the methyl 3α,7α-diacetoxy-12-ketocholanate intermediate的产率得到Methyl 3alpha,7alpha-diacetoxy-12-ketocholanate
  参考文献：
  名称：

  Process for preparing high purity ursodeoxycholic acid

  摘要：

  本发明描述了一种合成熊去氧胆酸的过程，其中粗熊去氧胆酸（含有大约13-15％的降解胆酸杂质）的纯化首先通过咪唑盐化和随后通过“甲酯化”进行纯化，从而可以获得具有极低“降解”和“石化”杂质含量的成品。本发明还描述了从过程中间体的母液中回收胆酸和3α-羟基-7-酮胆酸的步骤。

  公开号：

  US09206220B2

文献信息

• [EN] PROCESS FOR PREPARING HIGH PURITY URSODEOXYCHOLIC ACID<br/>[FR] PROCÉDÉ DE PRÉPARATION D'ACIDE URSODÉSOXYCHOLIQUE DE PURETÉ ÉLEVÉE
  申请人：ERREGIERRE SPA

  公开号：WO2014020024A1

  公开（公告）日：2014-02-06

  The present invention describes a process for the synthesis of ursodeoxycholic acid wherein the purification of the crude ursodeoxycholic acid (containing approximately 13-15% of chenodeoxycholic acid impurity) takes place first passing through a salification with imidazole and a subsequent purification via "methyl ester", which allows a finished product with an extremely low content of known "cheno and "litho" impurities to be obtained. The present invention also describes the recovery steps of cholic acid and 3α-hydroxy-7-ketocholanic acid from the mother liquors of process intermediates.

  本发明描述了一种合成熊去氧胆酸的过程，其中对粗熊去氧胆酸（含约13-15%的石胆酸杂质）的纯化首先通过咪唑盐化和随后的“甲酯”纯化进行，从而得到含有极低“石胆”和“磷胆”杂质的成品。本发明还描述了从过程中间体的母液中回收胆酸和3α-羟基-7-酮胆酸的步骤。
• PROCESS FOR PREPARING HIGH PURITY URSODEOXYCHOLIC ACID
  申请人：ERREGIERRE S.P.A.

  公开号：US20150291651A1

  公开（公告）日：2015-10-15

  The present invention describes a process for the synthesis of ursodeoxycholic acid wherein the purification of the crude ursodeoxycholic acid (containing approximately 13-15% of chenodeoxycholic acid impurity) takes place first passing through a salification with imidazole and a subsequent purification via “methyl ester”, which allows a finished product with an extremely low content of known “cheno and “litho” impurities to be obtained. The present invention also describes the recovery steps of cholic acid and 3α-hydroxy-7-ketocholanic acid from the mother liquors of process intermediates.

  本发明描述了一种合成熊去氧胆酸的过程，其中粗熊去氧胆酸（含有约13-15％的降解胆酸杂质）的纯化首先通过咪唑盐化和随后通过“甲酸甲酯”纯化进行，从而可以获得具有极低“降解”和“溶石”杂质含量的成品。本发明还描述了从过程中间体的母液中回收胆酸和3α-羟基-7-酮基胆酸的步骤。
• US9206220B2
  申请人：——

  公开号：US9206220B2

  公开（公告）日：2015-12-08