N-[(1S,3S)-3-[4-甲氧基-3-(3-甲氧基丙氧基)苯甲酰基]-4-甲基-1-[(2S,4S)-四氢-4-异丙基-5-氧代-2-呋喃基]戊基]-氨基甲酸叔丁酯 | 934841-22-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: N-[(1S,3S)-3-[4-甲氧基-3-(3-甲氧基丙氧基)苯甲酰基]-4-甲基-1-[(2S,4S)-四氢-4-异丙基-5-氧代-2-呋喃基]戊基]-氨基甲酸叔丁酯
• 英文名称: tert-Butyl ((1S,3S)-1-((2S,4S)-4-isopropyl-5-oxotetrahydrofuran-2-yl)-3-(4-methoxy-3-(3-methoxypropoxy)benzoyl)-4-methylpentyl)carbamate
• 英文别名: tert-butyl N-[(1S,3S)-3-[4-methoxy-3-(3-methoxypropoxy)benzoyl]-4-methyl-1-[(2S,4S)-5-oxo-4-propan-2-yloxolan-2-yl]pentyl]carbamate
• CAS: 934841-22-2
• 化学式: C₃₀H₄₇NO₈
• 分子量: 549.7
• InChiKey: ZCDGQHQLTWZKKB-LCXINAFSSA-N

物化性质

• 沸点：
  676.1±50.0 °C(Predicted)
• 密度：
  1.087±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  39
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• METHOD FOR PREPARING ALISKIREN AND ITS INTERMEDIATES THEREOF
  申请人：Tu Yongjun

  公开号：US20130225841A1

  公开（公告）日：2013-08-29

  A method for preparing Aliskiren and intermediate thereof, which comprises the following steps: reacting 4-bromo-1-methoxy-2-(3-methoxypropoxy)benzene with magnesium isopropyl chloride and n-BuLi to obtain the compound of formula XXII; reacting the product of methylsulfonylation of the compound of formula XIX with anhydrous LiBr to obtain the compound of formula XXI; obtaining the intermediate of Aliskiren shown as formula XV by reacting the compound of formula XXII with the compound of formula XXI in an ether as the solvent and in the presence of a catalyst containing iron; then reacting the compound of formula XV with the compound of formula VII to obtain the compound of formula XXIII, following removing R 1 from the amino group and obtaining Aliskiren shown as formula I.

  一种制备阿利司琼及其中间体的方法，包括以下步骤：将4-溴-1-甲氧基-2-(3-甲氧基丙氧基)苯基与异丙基氯化镁和n-BuLi反应，得到化合物XXII的步骤；将化合物XIX的甲磺酰化产物与无水溴化锂反应，得到化合物XXI的步骤；通过在醚溶剂中，在含有铁催化剂的情况下，将化合物XXII与化合物XXI反应，得到阿利司琼的中间体，其化学式如XV所示；然后将化合物XV与化合物VII反应，得到化合物XXIII，随后去除氨基上的R1，得到化学式为I的阿利司琼。
• METHOD FOR PREPARING ALISKIREN AND INTERMEDIATE THEREOF
  申请人：Zhejiang Tianyu Pharmaceutical Co., Ltd

  公开号：EP2546243A1

  公开（公告）日：2013-01-16

  A method for preparing Aliskiren and intermediate thereof, which comprises the following steps: reacting 4-bromo-1-methoxy-2-(3-methoxypropoxy)benzene with magnesium isopropyl chloride and n-BuLi to obtain the compound of formula XXII; reacting the product of methylsulfonylation of the compound of formula XIX with anhydrous LiBr to obtain the compound of formula XXI; obtaining the intermediate of Aliskiren shown as formula XV by reacting the compound of formula XXII with the compound of formula XXI in an ether as the solvent and in the presence of a catalyst containing iron; then reacting the compound of formula XV with the compound of formula VII to obtain the compound of formula XXIII, following removing R1 from the amino group and obtaining Aliskiren shown as formula I.

  一种制备阿利吉仑及其中间体的方法，包括以下步骤：将 4-溴-1-甲氧基-2-(3-甲氧基丙氧基)苯与异丙基氯化镁和 n-BuLi 反应，得到式 XXII 化合物； 将式 XIX 化合物的甲磺酰化产物与无水 LiBr 反应，得到式 XXI 化合物；以乙醚为溶剂，在含铁催化剂存在下，使式 XXII 化合物与式 XXI 化合物反应，得到式 XV 所示的阿利吉仑中间体；然后使式 XV 化合物与式 VII 化合物反应，得到式 XXIII 化合物，再除去氨基上的 R1，得到式 I 所示的阿利吉仑。
• METHOD FOR PREPARING ALISKIREN
  申请人：Zhejiang Tianyu Pharmaceutical Co., Ltd

  公开号：EP2546243B1

  公开（公告）日：2015-01-07
• 3-ALKYL-5- (4-ALKYL-5-OXO-TETRAHYDROFURAN-2-YL) PYRROLIDIN-2-ONE DERIVATIVES AS INTERMEDIATES IN THE SYNTHESIS OF RENIN INHIBITORS
  申请人：Novartis AG

  公开号：EP1948643B1

  公开（公告）日：2013-06-05
• 3-Alkyl-5- (4-Alkyl-5-Oxo-Tetrahydrofutr An -2-Yl) Pyrrolidin-2-One Derivatives As Intermediates In The Synthesis Of Renin Inhibitors
  申请人：Sedelmeier Gottfried

  公开号：US20080262246A1

  公开（公告）日：2008-10-23

  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 II, or a salt thereof, and a compound of formula VI or a salt thereof, wherein R 3 and R 4 as well as Act are as defined in the specification, and processes of manufacturing these. Additionally transformation of compounds (VI) with metallo organic compounds (VII) give rise to the new compounds (VIII) which are direct precursors for the preparation of Aliskiren.