(3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid;(1S)-1-phenylethanamine | 159701-43-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid;(1S)-1-phenylethanamine
• CAS: 159701-43-6
• 化学式: C₈H₁₁N*C₁₁H₁₈O₄
• 分子量: 335.444
• InChiKey: SBUYQVLHFJUJQM-GZTXQBDSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.35
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  81.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (3S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-3-carboxylic acid;(1S)-1-phenylethanamine 在 柠檬酸 作用下， 以 水 、 甲苯 为溶剂， 反应 1.4h， 生成 (S)-8,8-dimethyl-6,10-dioxaspiro[4.5]decane-2-carboxylic acid
  参考文献：
  名称：

  Epimerization methodologies for recovering stereoisomers in high yield and purity

  摘要：

  本发明涉及将立体异构体混合物经受对映异构化和可选再结晶程序，以获得高产率和纯度的所需立体异构体的方法。依靠溶解度差异，对映异构化通常在使所需立体异构体处于有利位置的溶剂混合物中进行。从溶剂混合物中再结晶可以进一步提高纯度。纯化的立体异构体在许多应用中非常有用，例如在合成药理学重要分子的中间体中。

  公开号：

  US20080161583A1

文献信息

• Aromatic sulfonated ketals
  申请人：Schwindt Mark A.

  公开号：US20080161564A1

  公开（公告）日：2008-07-03

  The present invention advantageously provides ketal functional compounds that can be strong electrophiles under conditions compatible with ketal groups, are stable, crystalline solids at room temperature, and are much safer to handle than ketal iodides. The present invention accomplishes by incorporating aromatic sulfonyl moieties into ketal functional materials. The compounds are useful starting materials or intermediates in the synthesis of more complex organic molecules.

  本发明有利地提供了在与缩酮基团兼容的条件下可成为强亲电试剂的缩酮官能化合物，这些化合物在室温下是稳定的结晶固体，比缩酮碘化物更安全。本发明通过将芳香基磺酰基结构引入缩酮官能材料中来实现。这些化合物在合成更复杂的有机分子过程中可作为有用的起始物质或中间体。
• Epimerization methodologies for recovering stereoisomers in high yield and purity
  申请人：Nicholas Gillian M.

  公开号：US20080161583A1

  公开（公告）日：2008-07-03

  The present invention relates to methods of subjecting a mixture of stereoisomers to epimerization and optionally recrystallization procedures to obtain a desired stereoisomer in high yield and purity. Relying upon solubility differences, the epimerization desirably is carried out in a solvent mixture that extends the epimerization equilibrium in favor of the desired stereoisomer. Recrystallization from a solvent mixture upgrades the purity even more. Purified stereoisomers are useful in many applications such as intermediates in the synthesis of pharmacologically important molecules.

  本发明涉及将立体异构体混合物经受对映异构化和可选再结晶程序，以获得高产率和纯度的所需立体异构体的方法。依靠溶解度差异，对映异构化通常在使所需立体异构体处于有利位置的溶剂混合物中进行。从溶剂混合物中再结晶可以进一步提高纯度。纯化的立体异构体在许多应用中非常有用，例如在合成药理学重要分子的中间体中。
• Process for the preparation of an isopropanol solvate of a glucokinase activator
  申请人：Daniewski Andrzej Robert

  公开号：US20070244129A1

  公开（公告）日：2007-10-18

  Provided is a process for the preparation of 2(R)-(3-Chloro-4-methanesulfonyl-phenyl)-3-((R)-3-oxo-cyclopentyl)-N-pyrazin-2-yl-propionamide and its isopropanol solvate as a glucokinase activator which increases insulin secretion in the treatment of, for example, type II diabetes.

  提供了一种制备2(R)-(3-氯-4-甲磺酰基苯基)-3-((R)-3-氧代环戊基)-N-吡啶-2-基-丙酰胺及其异丙醇溶剂化合物的过程，作为一种葡萄糖激酶激活剂，可增加胰岛素分泌，用于治疗例如II型糖尿病。
• WO2007/115967
  申请人：——

  公开号：——

  公开（公告）日：——
• Reduction methodologies for converting ketal acids, salts, and esters to ketal alcohols
  申请人：Topping Robert J.

  公开号：US20080161563A1

  公开（公告）日：2008-07-03

  The present invention relates to methods of reducing ketal acids, salts and esters to form corresponding ketal alcohols. More particularly, the reducing methods convert the ketal acids, salts, or esters to ketal alcohols by using a reducing agent that comprises a hydride that comprises one or more alkoxy moieties. The ketal alcohol is prepared in a hydrophobic reagent. This is purified by washing the hydrophobic reagent with one or more water washes. Because the ketal alcohol has some water solubility, the water washes are back-extracted with a hydrophobic solvent to recover additional ketal alcohol from such one or more water washes. The alcohol products are useful in many applications such as intermediates in the synthesis of pharmacologically important molecules.

  本发明涉及将酮酸、盐和酯还原为相应的酮醇的方法。更具体地说，还原方法通过使用包含一个或多个烷氧基的氢化物的还原剂将酮酸、盐或酯转化为酮醇。酮醇是在疏水试剂中制备的。通过用一个或多个水洗涤疏水试剂来纯化。由于酮醇具有一定的水溶性，所以水洗涤用疏水溶剂进行反萃取，以从一个或多个水洗涤中回收额外的酮醇。这些醇类产品在许多应用中很有用，例如在合成药理学重要分子的中间体中。