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索非那新杂质K | 59653-40-6

中文名称
索非那新杂质K
中文别名
——
英文名称
R-aceclidine
英文别名
(+)-Aceclidine;[(3R)-1-azabicyclo[2.2.2]octan-3-yl] acetate
索非那新杂质K化学式
CAS
59653-40-6
化学式
C9H15NO2
mdl
——
分子量
169.224
InChiKey
WRJPSSPFHGNBMG-VIFPVBQESA-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

计算性质

  • 辛醇/水分配系数(LogP):
    0.7
  • 重原子数:
    12
  • 可旋转键数:
    2
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.89
  • 拓扑面积:
    29.5
  • 氢给体数:
    0
  • 氢受体数:
    3

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    索非那新杂质Ksodium hydroxide 作用下, 反应 1.0h, 以80%的产率得到(R)-(-)-3-奎宁醇
    参考文献:
    名称:
    Synthesis of (R) and (S)-3-Aminoquinuclidine from 3-Quinuclidinone and (S) and (R)-1-Phenethylamine
    摘要:
    The synthesis of (R) and (S)-3-amino quinuclidine, an important building block for the synthesis of chiral 5-HT3 serotonin receptor antagonists, is described. The key reaction is the reduction by NaBH4 of the imine prepared from the 3-quinuclidinone and chiral (S) or (R)-1-phenethylamine.
    DOI:
    10.1080/00397919208021320
  • 作为产物:
    参考文献:
    名称:
    Synthesis of (R) and (S)-3-Aminoquinuclidine from 3-Quinuclidinone and (S) and (R)-1-Phenethylamine
    摘要:
    The synthesis of (R) and (S)-3-amino quinuclidine, an important building block for the synthesis of chiral 5-HT3 serotonin receptor antagonists, is described. The key reaction is the reduction by NaBH4 of the imine prepared from the 3-quinuclidinone and chiral (S) or (R)-1-phenethylamine.
    DOI:
    10.1080/00397919208021320
  • 作为试剂:
    描述:
    索非那新杂质K 作用下, 以 N,N-二甲基甲酰胺 为溶剂, 以67%的产率得到1,3-二苯丙烷
    参考文献:
    名称:
    3-Acetoxyquinuclidine as Catalyst in Electron Donor–Acceptor Complex-Mediated Reactions Triggered by Visible Light
    摘要:
    3-Acetoxyquinuclidine was found to act as a catalytic electron donor species in a variety of electron donor-acceptor complex-mediated reactions. Only substoichiometric amounts (10-25 mol %) were needed to trigger the desired reaction. The outcome could be tuned by selecting the nature of the formed radical to perform amino and hydro-decarboxylation, dimerization, and cyclization reactions. Importantly, no external additives were needed in this reaction.
    DOI:
    10.1021/acscatal.9b01039
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文献信息

  • Process for the Preparation of Solifenacin and Salts Thereof
    申请人:Bessa Bellunt Jordi
    公开号:US20140228575A1
    公开(公告)日:2014-08-14
    The invention provides a new process for the preparation of solifenacin or a pharmaceutically acceptable acid addition salt thereof, comprising reacting (R)-quinuclidin-3-yl phenethylcarbamate with benzaldehyde in the presence of an acid to obtain a diasteroisomeric mixture (S,R)—((R)-quinuclidin-3-yl) 1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate of formula (IV) which can be resolved and the solifenacin or a pharmaceutically acceptable acid addition salt thereof recovered. The invention also provides the new key intermediate (R)-quinuclidin-3-yl phenethylcarbamate involved in the process. Further the invention provides a method for the transformation of (R)—((R)-quinuclidin-3-yl) 1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate into a diasteroisomeric mixture (S,R)—((R)-quinuclidin-3-yl) 1-phenyl-3,4-dihydroisoquinoline-2(1H)-carboxylate.
    该发明提供了一种制备索利那辛或其药用可接受的酸盐的新工艺,包括在酸的存在下将(R)-喹诺啡啶-3-基苯乙基氨基甲酸酯苯甲醛反应,以获得一个立体异构混合物(S,R)-((R)-喹诺啡啶-3-基) 1-苯基-3,4-二氢异喹啉-2(1H)-羧酸酯的公式(IV),该混合物可以被分离,并可回收索利那辛或其药用可接受的酸盐。该发明还提供了参与该工艺的新关键中间体(R)-喹诺啡啶-3-基苯乙基氨基甲酸酯。此外,该发明提供了一种将(R)-((R)-喹诺啡啶-3-基) 1-苯基-3,4-二氢异喹啉-2(1H)-羧酸酯转化为一个立体异构混合物(S,R)-((R)-喹诺啡啶-3-基) 1-苯基-3,4-二氢异喹啉-2(1H)-羧酸酯的方法。
  • [EN] IMPROVED PROCESS FOR ACYL TRANSFER REACTIONS<br/>[FR] PROCÉDÉ AMÉLIORÉ POUR RÉACTIONS DE TRANSFERT D'ACYLE
    申请人:K H S PHARMA HOLDING GMBH
    公开号:WO2014140318A1
    公开(公告)日:2014-09-18
    The present invention relates to a novel process for the preparation of esters like Aclidinium, Atropin, Glycopyrroniunn, Tiotropium, Trospium and their respective precursors and derivatives, based on direct acyl transfer reactions.
    本发明涉及一种新颖的制备类似Aclidinium、Atropin、Glycopyrroniunn、Tiotropium、Trospium及其各自的前体和衍生物酯类的过程,基于直接酰基转移反应。
  • Process for preparing solifenacin
    申请人:Perlman Nurit
    公开号:US20070173528A1
    公开(公告)日:2007-07-26
    Provided are new intermediates of solifenacin and methods for their preparation, as well as methods of preparing solifenacin and solifenacin succinate.
    提供了索利那新中间体的制备方法,以及制备索利那新索利那新琥珀酸盐的方法。
  • Boronic acid adducts of rhenium dioxime and technetium-99M dioxime complexes containing a biochemically active group
    申请人:BRACCO INTERNATIONAL B.V.
    公开号:EP0441491A1
    公开(公告)日:1991-08-14
    Boronic acid adducts of technetium-99m and radioactive rhenium dioxime complexes, each of which include biochemically active groups, are useful as diagnostic and therapeutic agents, respectively.
    锝-99m 的硼酸加合物和放射性二氧化铼络合物都含有生化活性基团,可分别用作诊断和治疗药物。
  • SCREENING METHOD
    申请人:Takeda Pharmaceutical Company Limited
    公开号:EP3627152A1
    公开(公告)日:2020-03-25
    The present invention provides a useful and efficient screening method for finding a cholinergic muscarinic M1 receptor positive allosteric modulator (M1PAM) with reduced cholinergic side effects. The present invention also provides a method for treating Alzheimer's disease and the like, a method for reducing cholinergic side effects, and the like which use M1PAM selected by the screening method and having a low α value, or the M1PAM and an acetylcholinesterase inhibitor.
    本发明提供了一种有用且高效的筛选方法,用于寻找具有降低胆碱能副作用的胆碱能毒蕈碱 M1 受体正性异位调节剂(M1PAM)。本发明还提供了一种治疗阿尔茨海默病等疾病的方法、一种减少胆碱能副作用的方法等,这些方法使用了通过筛选方法选出的具有低α值的M1PAM,或M1PAM乙酰胆碱酯酶抑制剂
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