((4R,6R)-6-cyanomethyl-2,2-dimethyl-[1,3]-dioxan-4-yl)-acetic acid chloride | 791115-48-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: ((4R,6R)-6-cyanomethyl-2,2-dimethyl-[1,3]-dioxan-4-yl)-acetic acid chloride
• 英文别名: 2-[(4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetyl chloride
• CAS: 791115-48-5
• 化学式: C₁₀H₁₄ClNO₃
• 分子量: 231.679
• InChiKey: URSDLHGVVVRWEJ-HTQZYQBOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  59.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ((4R,6R)-6-cyanomethyl-2,2-dimethyl-[1,3]-dioxan-4-yl)-acetic acid chloride 、 叔丁醇 在 N-甲基吗啉 作用下， 以 甲苯 为溶剂， 反应 12.5h， 生成 (4R-cis)-6-氰甲基-2,2-二甲基-1,3-二氧六环-4-乙酸叔丁酯
  参考文献：
  名称：

  [EN] PROCESS FOT THE PREPARATION OF (4-HYDROXY-6-OXO-TETRAHYDROPYRAN-2-YL) ACETONITRILE AND DERIVATIVES THEREOF
  [FR] PROCEDE DE PREPARATION DE (4-HYDROXY-6-OXO-TETRAHYDROPYRAN-2-YL)-ACETONITRILE ET DE DERIVES CORRESPONDANTS

  摘要：

  该发明涉及一种从6-X-取代-甲基-4-羟基-四氢吡喃-2-酮制备(4-羟基-6-氧代-四氢吡喃-2-基)-乙腈的方法，其中X代表一个离去基团，通过在水中将6-X-取代-甲基-4-羟基-四氢吡喃-2-酮与氰离子反应，然后将pH降低至0至5之间的pH。从(4-羟基-6-氧代-四氢吡喃-2-基)-乙腈获得的化合物和其他化合物可适用于制备药物制剂，更具体地用于制备他汀类药物，更具体地用于制备阿托伐他汀或其盐，例如其钙盐。该发明还涉及(4-羟基-6-氧代-四氢吡喃-2-基)-乙腈和可从中获得的其他化合物。

  公开号：

  WO2004096788A1
• 作为产物：
  描述：

  sodium ((4R,6R)-6-cyanomethyl-2,2-dimethyl-[1,3]-dioxan-4-yl)-acetate 在 草酰氯 作用下， 以 甲苯 为溶剂， 反应 6.5h， 生成 ((4R,6R)-6-cyanomethyl-2,2-dimethyl-[1,3]-dioxan-4-yl)-acetic acid chloride
  参考文献：
  名称：

  [EN] PROCESS FOT THE PREPARATION OF (4-HYDROXY-6-OXO-TETRAHYDROPYRAN-2-YL) ACETONITRILE AND DERIVATIVES THEREOF
  [FR] PROCEDE DE PREPARATION DE (4-HYDROXY-6-OXO-TETRAHYDROPYRAN-2-YL)-ACETONITRILE ET DE DERIVES CORRESPONDANTS

  摘要：

  该发明涉及一种从6-X-取代-甲基-4-羟基-四氢吡喃-2-酮制备(4-羟基-6-氧代-四氢吡喃-2-基)-乙腈的方法，其中X代表一个离去基团，通过在水中将6-X-取代-甲基-4-羟基-四氢吡喃-2-酮与氰离子反应，然后将pH降低至0至5之间的pH。从(4-羟基-6-氧代-四氢吡喃-2-基)-乙腈获得的化合物和其他化合物可适用于制备药物制剂，更具体地用于制备他汀类药物，更具体地用于制备阿托伐他汀或其盐，例如其钙盐。该发明还涉及(4-羟基-6-氧代-四氢吡喃-2-基)-乙腈和可从中获得的其他化合物。

  公开号：

  WO2004096788A1

文献信息

• Process for the preparation of (4-hydroxy-6-oxo-tetrahydropyran-2-yl) acetonitrile and derivatives
  申请人：Mink Daniel

  公开号：US20060258733A1

  公开（公告）日：2006-11-16

  The invention relates to a process for the preparation of (4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-acetonitrile from 6-X-substituted-methyl-4-hydroxy-tetrahydro-pyran-2-one, wherein X stands for a leaving group, by reacting 6-X-substituted-methyl-4-hydroxy-tetrahydro-pyran-2-one with a cyanide ion in water and by subsequent lowering of the pH to a pH between 0 and 5. (4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-acetonitrile and other compounds obtainable from (4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-acetonitrile may suitably be used in the preparation of a pharmaceutical preparation, more in particular in the preparation of statins, more in particular in the preparation of Atorvastatine or a salt thereof, for instance its calcium salt. The invention also relates to (4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-acetonitrile and other compounds obtainable therefrom.
• [EN] PROCESS FOT THE PREPARATION OF (4-HYDROXY-6-OXO-TETRAHYDROPYRAN-2-YL) ACETONITRILE AND DERIVATIVES THEREOF<br/>[FR] PROCEDE DE PREPARATION DE (4-HYDROXY-6-OXO-TETRAHYDROPYRAN-2-YL)-ACETONITRILE ET DE DERIVES CORRESPONDANTS
  申请人：DSM IP ASSETS BV

  公开号：WO2004096788A1

  公开（公告）日：2004-11-11

  The invention relates to a process for the preparation of (4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-acetonitrile from 6-X-substituted-methyl-4-hydroxy-tetrahydro-pyran-2-one, wherein X stands for a leaving group, by reacting 6-X-substituted-methyl-4-hydroxy-tetrahydro-pyran-2-one with a cyanide ion in water and by subsequent lowering of the pH to a pH between 0 and 5. (4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-acetonitrile and other compounds obtainable from (4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-acetonitrile may suitably be used in the preparation of a pharmaceutical preparation, more in particular in the preparation of statins, more in particular in the preparation of Atorvastatine or a salt thereof, for instance its calcium salt. The invention also relates to (4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-acetonitrile and other compounds obtainable therefrom.

  该发明涉及一种从6-X-取代-甲基-4-羟基-四氢吡喃-2-酮制备(4-羟基-6-氧代-四氢吡喃-2-基)-乙腈的方法，其中X代表一个离去基团，通过在水中将6-X-取代-甲基-4-羟基-四氢吡喃-2-酮与氰离子反应，然后将pH降低至0至5之间的pH。从(4-羟基-6-氧代-四氢吡喃-2-基)-乙腈获得的化合物和其他化合物可适用于制备药物制剂，更具体地用于制备他汀类药物，更具体地用于制备阿托伐他汀或其盐，例如其钙盐。该发明还涉及(4-羟基-6-氧代-四氢吡喃-2-基)-乙腈和可从中获得的其他化合物。