7-bromo-1-methyl-5-[2-ethoxy-5-(chlorosulfonyl)phenyl]-3-n-propyl-1H-pyrazolo[4,3-d]pyrimidine | 1033861-50-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 7-bromo-1-methyl-5-[2-ethoxy-5-(chlorosulfonyl)phenyl]-3-n-propyl-1H-pyrazolo[4,3-d]pyrimidine
• 英文别名: 3-(7-Bromo-1-methyl-3-propylpyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxybenzenesulfonyl chloride
• CAS: 1033861-50-5
• 化学式: C₁₇H₁₈BrClN₄O₃S
• 分子量: 473.778
• InChiKey: RDHHWZIJZWAIHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  95.4
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• PROCESS FOR THE PREPARATION OF SILDENAFIL AND INTERMEDIATES THEREOF
  申请人：Tian Guanghui

  公开号：US20100048897A1

  公开（公告）日：2010-02-25

  The present invention discloses a process for preparing sildenafil and its intermediates having the structures outlined below: In particular, the present invention provides a process for preparing the compound of formula (I) and its intermediates, i.e. the compounds of formula (I), (II), (III) and (IV). The compound of formula (I) is obtained from the compound of formula (II); the compound (II) is obtained from the compound of formula (III) and methylpiperazine; the compound (III) is obtained by treating the compound of formula (IV) with chlorosulfonic acid; the compound (IV) is obtained though treating the compound of formula (V) in the presence of at least one selected from POX 3 , PX 3 , PX 5 and their mixtures in any ratio. The process for preparing the compound of formula (I) according to the present invention reduces the side reactions in the processes of the prior art. These improvements lead to higher yields and a better industrial applicability with easier controlling of the reaction.

  本发明公开了一种制备西地那非及其中间体的过程，具有下面概述的结构：特别地，本发明提供了一种制备化合物(I)及其中间体的过程，即化合物(I)、(II)、(III)和(IV)的化合物。化合物(I)是从化合物(II)获得的；化合物(II)是从化合物(III)和甲基哌嗪获得的；化合物(III)是通过用氯磺酸处理化合物(IV)获得的；化合物(IV)是通过在POX3、PX3、PX5及其混合物中至少选择一种存在的情况下处理化合物(V)获得的。根据本发明的制备化合物(I)的过程减少了先前技术中的副反应。这些改进导致更高的产量和更好的工业适用性，反应控制更容易。
• PROCESS FOR THE PREPARATION OF SILDENAFIL
  申请人：Krka Tovarna Zdravil, D.D., Novo Mesto

  公开号：EP2125821B1

  公开（公告）日：2011-07-13
• US8071765B2
  申请人：——

  公开号：US8071765B2

  公开（公告）日：2011-12-06
• [EN] PROCESS FOR THE PREPARATION OF SILDENAFIL<br/>[FR] PROCÉDÉ DE PRÉPARATION DE SILDÉNAFIL
  申请人：KRKA TOVARNA ZDRAVIL D D NOVO

  公开号：WO2008074512A1

  公开（公告）日：2008-06-26

  [EN] The present invention is directed to a process for the preparation of the compound of Formula (I) : comprising the step of converting a compound selected from the group consisting of the compounds of formulae (II), (III) and (IV) : wherein X is halogen, in one or more steps to give the compound of formula (I). The invention is also directed to a process for the preparation of a pharmaceutical composition comprising the compound of formula (I) or a pharmaceutically acceptable salt or solvate thereof. Moreover, the invention relates to intermediates suitable for use in the above processes as well as processes for their preparation.
  [FR] La présente invention concerne un procédé de préparation du composé de formule (I), ce procédé consistant à convertir un composé choisi dans le groupe comprenant les composés représentés par les formules (II), (III) et (IV), dans lesquelles X désigne un atome d'halogène, en une ou plusieurs étapes pour produire le composé de formule (I). L'invention concerne également un procédé de préparation d'une composition pharmaceutique comprenant ce composé de formule (I) ou un sel ou un solvate pharmaceutiquement acceptable de ce composé. L'invention concerne en outre des intermédiaires pouvant être utilisés dans les procédés susmentionnés, ainsi que des procédés de préparation de ces intermédiaires.