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孟鲁司特钠EP杂质A | 220927-27-5

中文名称
孟鲁司特钠EP杂质A
中文别名
——
英文名称
(S,E)-(1-{1-{3-[2-(7-chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(1-hydroxy-1-methylethyl)phenyl]propylsulfanylmethyl}cyclopropyl)acetic acid
英文别名
(R,E)-(1-{1-{3-[2-(7-Chloroquinolin-2-yl)ethenyl]phenyl}-3-[2-(1-hydroxy-1-methylethyl)phenyl]propylsulfanylmethyl}cyclopropyl)acetic acid;Montelukast, (S)-;2-[1-[[(1S)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid
孟鲁司特钠EP杂质A化学式
CAS
220927-27-5
化学式
C35H36ClNO3S
mdl
——
分子量
586.195
InChiKey
UCHDWCPVSPXUMX-OYLFJNDKSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    750.5±60.0 °C(Predicted)
  • 密度:
    1.272±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    7.7
  • 重原子数:
    41
  • 可旋转键数:
    12
  • 环数:
    5.0
  • sp3杂化的碳原子比例:
    0.31
  • 拓扑面积:
    95.7
  • 氢给体数:
    2
  • 氢受体数:
    5

安全信息

  • 储存条件:
    室温

上下游信息

反应信息

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文献信息

  • PROCESS FOR THE PREPARATION OF MONTELUKAST AND ITS SALTS THEREOF
    申请人:Gorantla Seeta Ramanjaneyulu
    公开号:US20110092708A1
    公开(公告)日:2011-04-21
    The present invention relates to the alkyl amine salts of Montelukast and methods for their preparation and conversion of Montelukast amine salts to Montelukast or Montelukast alkali/alkaline salt.
    本发明涉及蒙特卢卡斯特的烷基胺盐及其制备方法,以及将蒙特卢卡斯特胺盐转化为蒙特卢卡斯特或蒙特卢卡斯特碱/碱性盐的方法。
  • PROCESS FOR THE MANUFACTURE OF MONTELUKAST SODIUM
    申请人:Chawla Harmander Singh Pal
    公开号:US20090182148A1
    公开(公告)日:2009-07-16
    An improved process for the manufacture of 1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropane acetic acid, sodium salt [montelukast sodium(I)]. It consists of converting a vital intermediate 1-(mercaptomethyl)-cyclopropane acetic acid of formula IX, to a quaternary ammonium salt of formula X, using a suitable base in a suitable solvent at 0° C. to 50° C. followed by monometalation to provide an intermediate of formula XI and subsequent condensation of XI with 2-[2-[3-(S)-[3-[2-(7-chloro-2-quinolinyl)-ethenyl]phenyl]-3-methanesulphonyloxypropyl]phenyl]-2-propanol at 0 to −50° C. to afford 1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropane acetic acid as the quaternary ammonium salt which is filtered, purified by crystallization from a suitable solvent and finally treated with a sodium base in a suitable solvent to generate montelukast sodium which is isolated by trituration with an antisolvent. The invention provides a convenient process for preparing montelukast sodium (I) in good yields and purities.
    一种改进的制备1-[[[(1R)-1-[3-[(1E)-2-(7-氯-2-喹啉基)乙烯基]苯基]-3-[2-(1-羟基-1-甲基乙基)苯基]丙基]硫]甲基]环丙烷乙酸钠盐[蒙特卢卡斯钠(I)]的方法。该方法包括将公式IX的关键中间体1-(巯基甲基)-环丙烷乙酸转化为公式X的季铵盐,使用适当的碱在适当的溶剂中在0℃至50℃下进行单金属化反应,形成公式XI的中间体,然后在0℃至-50℃下将XI与2-[2-[3-(S)-[3-[2-(7-氯-2-喹啉基)-乙烯基]苯基]-3-甲磺酰氧基丙基]苯基]-2-丙醇进行缩合反应,得到以季铵盐形式存在的1-[[[(1R)-1-[3-[(1E)-2-(7-氯-2-喹啉基)乙烯基]苯基]-3-[2-(1-羟基-1-甲基乙基)苯基]丙基]硫]甲基]环丙烷乙酸,该季铵盐经过过滤、从适当的溶剂中结晶纯化,最后在适当的溶剂中使用钠碱生成蒙特卢卡斯钠,通过与抗溶剂混合物进行沉淀分离。该发明提供了一种方便的制备蒙特卢卡斯钠(I)的方法,产率和纯度均较高。
  • Novel Salt of Montelukast
    申请人:Achmatowicz Osman
    公开号:US20090005413A1
    公开(公告)日:2009-01-01
    The invention relates to a novel salt of montelukast with tert-butylamine and its use in the process for the preparation of highly pure free montelukast acid and/or pharmaceutically acceptable salts thereof, in particular montelukast sodium.
    本发明涉及一种与叔丁基胺形成的蒙特卢卡斯特新盐及其在制备高纯自由蒙特卢卡斯特酸和/或药用可接受盐,特别是蒙特卢卡斯特钠的过程中的应用。
  • SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS
    申请人:Dugar Sundeep
    公开号:US20140121367A1
    公开(公告)日:2014-05-01
    The present invention relates to the synthesis and application of novel chiral/achiral substituted methyl formyl reagents to modify pharmaceutical agents and/or biologically active substances to modify the physicochemical, biological and/or pharmacokinetic properties of the resulting compounds from the unmodified original agent.
    本发明涉及合成和应用新型手性/无手性取代甲基甲酰试剂来修饰药物和/或生物活性物质,以改变未经修饰的原始试剂的物理化学、生物学和/或药代动力学性质,从而得到改性后的化合物。
  • WO2006/43846
    申请人:——
    公开号:——
    公开(公告)日:——
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