(2R,3S,5S)-5-((1S,3S)-3-benzyloxymethyl-1-hydroxy-4-methyl-pentyl)-3-isopropyl-2-[4-methoxy-3-(3-methoxy-propoxy)-phenyl]pyrrolidine-1-carboxylic acid tert-butyl ester | 916793-72-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (2R,3S,5S)-5-((1S,3S)-3-benzyloxymethyl-1-hydroxy-4-methyl-pentyl)-3-isopropyl-2-[4-methoxy-3-(3-methoxy-propoxy)-phenyl]pyrrolidine-1-carboxylic acid tert-butyl ester
• 英文别名: (2R,3S,5S)-5-((1S,3S)-3-Benzyloxymethyl-1-hydroxy-4-methyl-pentyl)-3-isopropyl-2-[4-methoxy-3-(3 methoxy-propoxy)-phenyl]pyrrolidine-1-carboxylic acid tert-butyl ester；tert-butyl (2R,3S,5S)-5-[(1S,3S)-1-hydroxy-4-methyl-3-(phenylmethoxymethyl)pentyl]-2-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3-propan-2-ylpyrrolidine-1-carboxylate
• CAS: 916793-72-1
• 化学式: C₃₇H₅₇NO₇
• 分子量: 627.862
• InChiKey: BQYPGRVSTQBFPV-AIJJUUPISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  45
• 可旋转键数：
  18
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  86.7
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (2R,3S,5S)-5-((1S,3S)-3-benzyloxymethyl-1-hydroxy-4-methyl-pentyl)-3-isopropyl-2-[4-methoxy-3-(3-methoxy-propoxy)-phenyl]pyrrolidine-1-carboxylic acid tert-butyl ester 在 氨 、 sodium 、 溶剂黄146 作用下， 以 甲苯 为溶剂， 反应 24.17h， 生成 ((1S,2S,4S)-2-hydroxy-4-hydroxymethyl-1-((S)-2-[4-methoxy-3-(3-methoxy-propoxy)-benzyl]-3-methyl-butyl)-5-methyl-hexyl)-carbamic acid tert-butyl ester
  参考文献：
  名称：

  WO2007/39183

  摘要：

  公开号：
• 作为产物：
  描述：

  (2R,3S,5S)-5-formyl-3-isopropyl-2-[4-methoxy-3-(3-methoxy-propoxy)-phenyl]pyrrolidine-1-carboxylic acid tert-butyl ester 在 magnesium 、 1,2-二溴乙烷 、 硫酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 5.0h， 生成 (2R,3S,5S)-5-((1S,3S)-3-benzyloxymethyl-1-hydroxy-4-methyl-pentyl)-3-isopropyl-2-[4-methoxy-3-(3-methoxy-propoxy)-phenyl]pyrrolidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  WO2006/131304

  摘要：

  公开号：

文献信息

• Organic Compounds
  申请人：Mickel Stuart John

  公开号：US20080207921A1

  公开（公告）日：2008-08-28

  The invention related to a novel process, novel process steps and novel intermediates useful in the synthesis of pharmaceutically active compounds, especially renin inhibitors, such as Aliskiren. Inter alia, the invention relates to a process for the manufacture of a compound of the formula III, wherein R, R 1 , R 2 , R 3 and PG are as defined in the specification, or a salt thereof, said manufacture comprising (preferably consisting in) reacting a compound of the formula I,

  本发明涉及一种新颖的过程、新颖的过程步骤和新颖的中间体，用于合成药物活性化合物，特别是肾素抑制剂，如阿利司他。此外，本发明涉及一种制备式III化合物的过程，其中R、R1、R2、R3和PG如规范中所定义，或其盐，所述制备包括（最好是由）反应式I化合物。
• Synthesis of Renin Inhibitors Involving a Cycloaddition Reaction
  申请人：Mickel Stuart John

  公开号：US20080255369A1

  公开（公告）日：2008-10-16

  The invention related to a novel process, novel process steps and novel intermediates useful in the synthesis of pharmaceutically active compounds, especially renin inhibitors, such as Aliskiren. Inter alia, the invention relates to a process for the manufacture of a compound of the formula III, wherein R, R 1 , and R′ are as defined in the specification, or a salt thereof, and a compound of formula IV wherein R, R 1 , R 2 and R′ are as defined in the specification, and processes of manufacturing these.

  该发明涉及一种新颖的工艺、新颖的工艺步骤和新颖的中间体，可用于合成药物活性化合物，特别是肾素抑制剂，例如阿利司他。此外，该发明涉及一种制备式III化合物的工艺，其中R、R1和R′如规范中定义，或其盐，以及式IV化合物的工艺，其中R、R1、R2和R′如规范中定义，并制备这些化合物的工艺。
• Process for preparing renin inhibitors
  申请人：Novartis AG

  公开号：US07767831B2

  公开（公告）日：2010-08-03

  The present invention provides a novel process, novel process steps and novel intermediates useful in the synthesis of pharmaceutically active compounds, especially renin inhibitors, such as Aliskiren. Inter alia, the invention provides a process for the manufacture of a compound of the formula III, wherein R, R1, R2, R3 and PG are as defined in the specification, or a salt thereof. The manufacture comprises (preferably consists of) reacting a compound of the formula I, with a reagent able to transform hydroxy into X where X is for example a leaving group.

  本发明提供了一种新颖的过程、新颖的过程步骤和新颖的中间体，可用于合成药物活性化合物，特别是肾素抑制剂，如阿利司他。此外，本发明提供了一种用于制造公式III化合物或其盐的方法，其中R、R1、R2、R3和PG如规范中所定义。制造包括（最好仅包括）将公式I化合物与能将羟基转化为X的试剂反应，其中X例如是一个离去基团。
• SYNTHESIS OF RENIN INHIBITORS INVOLVING A CYCLOADDITION REACTION
  申请人：Mickel Stuart John

  公开号：US20110230665A1

  公开（公告）日：2011-09-22

  The invention related to a novel process, novel process steps and novel intermediates useful in the synthesis of pharmaceutically active compounds, especially renin inhibitors, such as Aliskiren. Inter alia, the invention relates to a process for the manufacture of a compound of the formula III, wherein R, R 1 , and R′ are as defined in the specification, or a salt thereof, and a compound of formula IV wherein R, R 1 , R 2 and R′ are as defined in the specification, and processes of manufacturing these.

  这项发明涉及一种新颖的过程、新颖的过程步骤和新颖的中间体，可用于合成药物活性化合物，特别是肾素抑制剂，如阿利司他。此外，该发明涉及一种用于制造公式III化合物的过程，其中R、R1和R′如规范中所定义，或其盐，以及公式IV化合物的过程，其中R、R1、R2和R′如规范中所定义，并制造这些化合物的过程。
• Synthesis Of Renin Inhibitors Involving A Cycloaddition Reaction
  申请人：Novartis AG

  公开号：EP2287153A1

  公开（公告）日：2011-02-23

  The invention related to a novel process, novel process steps and novel intermediates useful in the synthesis of pharmaceutically active compounds, especially renin inhibitors, such as Aliskiren. Inter alia, the invention relates to a process for the manufacture of a compound of the formula III, wherein R, R1, and R' are as defined in the specification, or a salt thereof, and a compound of formula IV wherein R, R1, R2 and R' are as defined in the specification, and processes of manufacturing these.

  本发明涉及一种新型工艺、新型工艺步骤和新型中间体，这些工艺、步骤和中间体可用于合成具有医药活性的化合物，特别是肾素抑制剂，如阿利吉仑。除其他外，本发明涉及一种制造式 III 化合物的工艺、 其中 R、R1 和 R' 如说明书中所定义，或其盐，以及式 IV 的化合物 其中R、R1、R2和R'如说明书中所定义，以及制造这些化合物的工艺。