(+/-)methyl 2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxopentanoate | 912998-82-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (+/-)methyl 2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxopentanoate
• 英文别名: Methyl 2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxopentanoate
• CAS: 912998-82-4
• 化学式: C₂₁H₂₁FO₄
• 分子量: 356.394
• InChiKey: TXWJFKPHGVXVDC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  60.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (+/-)methyl 2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxopentanoate 在 水 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成 1-（4-氟苯基）-5-甲基-2-苯基-1，4-己二酮
  参考文献：
  名称：

  [EN] METHOD FOR THE PREPARATION OF ATORVASTATIN AND INTERMEDIATES USED THEREIN
  [FR] PROCÉDÉ DE PRÉPARATION D'ATORVASTATINE ET INTERMÉDIAIRES UTILISÉS DANS LEDIT PROCÉDÉ

  摘要：

  本发明涉及一种制备阿托伐他汀的新方法。根据本发明，提供了一种制备阿托伐他汀的新中间体以及使用该中间体以安全方式制备大量阿托伐他汀的方法。

  公开号：

  WO2009093776A1

文献信息

• METHOD FOR THE PREPARATION OF ATORVASTATIN AND INTERMEDIATES USED THEREIN
  申请人：Ahn Soon Kil

  公开号：US20110015407A1

  公开（公告）日：2011-01-20

  The present invention relates to a novel method for preparing atorvastatin. According to the present invention, provided are a novel intermediate of the preparation of atorvastatin and a method of preparing large amounts of atorvastatin in a safe manner using the intermediate.

  本发明涉及一种制备阿托伐他汀的新方法。根据本发明，提供了一种制备阿托伐他汀的新中间体以及利用该中间体安全地制备大量阿托伐他汀的方法。
• PROCESS AND COMPOUND
  申请人：Blacker John

  公开号：US20090069579A1

  公开（公告）日：2009-03-12

  A process for preparing intermediate compounds useful in the preparation of statins. The process is particularly useful for the preparation of atorvastatin. The process involves the reduction of two ketone groups at the same time using either a chiral transition metal catalyst or an enzyme based system.

  一种制备他汀类药物中间体的方法。该方法特别适用于阿托伐他汀的制备。该方法涉及使用手性过渡金属催化剂或基于酶的系统同时还原两个酮基团。
• Process and Intermediates Useful in the Preparation of Statins, Particularly Atorvastatin
  申请人：Moody David John

  公开号：US20090062553A1

  公开（公告）日：2009-03-05

  There is provided a process for the preparation of a compound of formula (7) or salts thereof: wherein R 1 represents a hydrogen or a hydrocarbyl group, R 2 represents a hydrogen or substituent group, R 3 represents a hydrogen or a hydrocarbyl group, and X represents a hydrogen or substituent group which comprises a) cyanating a compound of formula (1): wherein Y represents a halo group, preferably CI or Br; P 1 represents hydrogen or a protecting group, and W represents ═O or —OP 2 , in which P 2 represents hydrogen or a protecting group, to give a compound of formula (2): b) reducing the compound of formula (2) to give a compound of formula (3): coupling the compound of formula (3) with a compound of formula (4): to give a compound of formula (5): when W represents —OP 2 , deprotecting and then oxidising the compound of formula (5) to give a compound of formula (6): and e) subjecting the compound of formula (5) when W represents ═O, or compound of formula (6) to ring-opening, and removal of any remaining protecting groups, to give a compound of formula (7) or salts thereof.

  提供了一种制备公式（7）化合物或其盐的方法：其中R1代表氢或烃基团，R2代表氢或取代基团，R3代表氢或烃基团，X代表氢或取代基团，包括a)氰化公式（1）化合物：其中Y代表卤基团，优选为CI或Br；P1代表氢或保护基团，W代表═O或—OP2，其中P2代表氢或保护基团，以给出公式（2）化合物；b)还原公式（2）化合物以给出公式（3）化合物；将公式（3）化合物与公式（4）化合物偶联以给出公式（5）化合物；当W代表—OP2时，脱保护并氧化公式（5）化合物以给出公式（6）化合物；并且e）当W代表═O时，或者公式（6）化合物进行环开启并去除任何剩余的保护基团，以给出公式（7）化合物或其盐。
• Process and intermediates useful in the preparation of statins, particularly atorvastatin
  申请人：Moody David John

  公开号：US20070043221A1

  公开（公告）日：2007-02-22

  There is provided a process for the preparation of a compound of formula (7) or salts thereof: wherein R 1 represents a hydrogen or a hydrocarbyl group, R 2 represents a hydrogen or substituent group, R 3 represents a hydrogen or a hydrocarbyl group, and X represents a hydrogen or substituent group which comprises a) cyanating a compound of formula (1): wherein Y represents a halo group, preferably CI or Br; P 1 represents hydrogen or a protecting group, and W represents =0 or —OP 2 , in which P 2 represents hydrogen or a protecting group, to give a compound of formula (2): b) reducing the compound of formula (2) to give a compound of formula (3): coupling the compound of formula (3) with a compound of formula (4): to give a compound of formula (5): when W represents —OP 2 , deprotecting and then oxidising the compound of formula (5) to give a compound of formula (6): and e) subjecting the compound of formula (5) when W represents ═O, or compound of formula (6) to ring-opening, and removal of any remaining protecting groups, to give a compound of formula (7) or salts thereof.

  提供了一种制备化合物式（7）或其盐的方法，其中R1代表氢或烃基，R2代表氢或取代基，R3代表氢或烃基，X代表氢或取代基，包括以下步骤：a）氰化化合物式（1）：其中Y代表卤素基团，优选为CI或Br；P1代表氢或保护基，W代表=0或—OP2，其中P2代表氢或保护基，以得到化合物式（2）；b）还原化合物式（2）以得到化合物式（3）；将化合物式（3）与化合物式（4）偶联，以得到化合物式（5）；当W代表—OP2时，去保护后氧化化合物式（5）以得到化合物式（6）；并e）当W代表═O时，或将化合物式（6）环开合并去除任何剩余的保护基，以得到化合物式（7）或其盐。
• WO2006/110918
  申请人：——

  公开号：——

  公开（公告）日：——