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5-(4-氟苯基)-3-吡啶甲醛 | 381684-96-4

中文名称
5-(4-氟苯基)-3-吡啶甲醛
中文别名
——
英文名称
5-(4-fluorophenyl)nicotinaldehyde
英文别名
5-(4-Fluorophenyl)pyridine-3-carbaldehyde
5-(4-氟苯基)-3-吡啶甲醛化学式
CAS
381684-96-4
化学式
C12H8FNO
mdl
——
分子量
201.2
InChiKey
LGBCBWOHFSIXOW-UHFFFAOYSA-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):
    2
  • 重原子数:
    15
  • 可旋转键数:
    2
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    30
  • 氢给体数:
    0
  • 氢受体数:
    3

安全信息

  • 危险性防范说明:
    P261,P305+P351+P338
  • 危险性描述:
    H315,H319,H335

SDS

SDS:08f0f842e09d69ae304eb4a654525e98
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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

反应信息

  • 作为反应物:
    描述:
    5-(4-氟苯基)-3-吡啶甲醛 在 sodium metabisulfite 作用下, 以 乙醇 为溶剂, 生成
    参考文献:
    名称:
    Synthesis and evaluation of antimycobacterial activity of new benzimidazole aminoesters
    摘要:
    A total of 51 novel benzimidazoles were synthesized by a 4-step reaction starting from basic compound 4-fluoro-3-nitrobenzoic acid under relatively mild reaction conditions. The structure of the novel benzimidazoles was confirmed by mass spectra as well as H-1 NMR spectroscopic data. Out of the 51 novel synthesized compounds, 42 of them were screened for their antimycobacterial activity against Mycobacterium tuberculosis H(37)Rv strain using BacTiter-Glo (TM) Microbial Cell Viability (BTG) method. Results of activity screened using Alamar Blue method was also provided for comparison purposes. Two of the novel benzimidazoles synthesized showed moderately good activity with 1050 of less than 15 mu M. Compound 5g, ethyl 2-(4-(trifluoromethyl)phenyl)-1-(2-morpholinoethyl)-1H-benzo[d]imidazole-5-carboxylate, was found to be the most active with IC50 of 11.52 mu M. (C) 2014 Elsevier Masson SAS. All rights reserved.
    DOI:
    10.1016/j.ejmech.2013.06.025
  • 作为产物:
    描述:
    3-(4-氟苯基)-5-吡啶羧酸 在 palladium diacetate 、 三苯基膦 二碳酸二叔丁酯氢气 作用下, 以 四氢呋喃 为溶剂, 100.0 ℃ 、11.0 MPa 条件下, 反应 24.0h, 生成 5-(4-氟苯基)-3-吡啶甲醛
    参考文献:
    名称:
    [DE] VERFAHREN ZUR HERSTELLUNG VON 5-ARYLNICOTINALDEHYDEN
    [EN] METHOD FOR THE PRODUCTION OF 5-ARYL NICOTINALDEHYDES
    [FR] PROCEDE POUR LA PRODUCTION DE 5-ARYLNICOTINALDEHYDES
    摘要:
    本发明涉及一种通过在Di-tert.-butyldicarbonat存在下,利用磷配体稳定的钯络合物进行催化加氢,从而通过还原相应的5-芳基烟酸制备5-芳基烟醛的方法。其特征在于,钯络合物与5-芳基烟酸的摩尔比在1:500至1:8000之间,而5-芳基烟酸与Di-tert.-butyldicarbonat的摩尔比在1:1至1:5之间。
    公开号:
    WO2005123682A1
  • 作为试剂:
    描述:
    参考文献:
    名称:
    Method for producing-2[-5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]-chromane
    摘要:
    本发明涉及一种制备2 - [5-(4-氟苯基)-3-吡啶甲基氨甲基] 色满及其对映体和其盐的方法,其特征在于,5-(4-氟苯基)吡啶-3-甲醛在还原条件下直接与氨甲基色满或其盐反应,得到2 - [5-(4-氟苯基)-3-吡啶甲基氨甲基] 色满,如有需要,可以通过酸处理将其转化为其生理上可接受的盐之一。
    公开号:
    US20040138266A1
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文献信息

  • Synthesis and Dual D<sub>2</sub> and 5-HT<sub>1A</sub> Receptor Binding Affinities of 7-piperazinyl and 7-piperidinyl-3,4-dihydroquinazolin-2(1H)-ones
    作者:Nisar Ullah
    DOI:10.2174/15734064113096660046
    日期:2014.5.31
    A series of new 7-piperazinyl and 7-piperidinyl-3,4-dihydroquinazolin-2(1H)-ones has been synthesized. The described compounds are structurally related to adoprazine, a potential atypical antipsychotic bearing potent D2 receptor antagonist and 5-HT1A receptor agonist properties. Suitably modified aryl bromides were prepared and condensed with tert-butyl piperazine-1-carboxylate to afford the advanced intermediate piperazinyl-3,4-dihydroquinazolin-2(1H)-one. Likewise Suzuki-Miyaura cross-coupling reaction of cyclic vinyl boronate with appropriate aryl bromides rendered piperidinyl-3,4-dihydroquinazolin-2(1H)-one. The reductive amination of the piperazinyl and piperidinyl-3,4- dihydroquinazolin-2(1H)-ones with suitably designed biarylaldehydes accomplished the synthesis of these title compounds. The described compounds were screened for D2 and 5-HT1A receptors binding affinities. The structure-activity relationship studies revealed that cyclopentenylpyridine and cyclopentenylbenzyl groups contribute significantly to the dual D2 and 5-HT1A receptor binding affinities of these compounds.
    一系列新的7-哌嗪基和7-哌啶基-3,4-二氢喹唑啉-2(1H)-酮已被合成。所述化合物在结构上与阿多拉嗪相关,后者是一种潜在的不典型抗精神病药物,具有强效的D2受体拮抗剂和5-HT1A受体激动剂特性。制备了适当修饰的芳基溴化物,并与叔丁基哌嗪-1-羧酸酯缩合,得到高级中间体哌嗪基-3,4-二氢喹唑啉-2(1H)-酮。同样,Suzuki-Miyaura交叉偶联反应中,环状乙烯基硼酸盐与适当的芳基溴化物反应,得到哌啶基-3,4-二氢喹唑啉-2(1H)-酮。通过哌嗪基和哌啶基-3,4-二氢喹唑啉-2(1H)-酮与适当设计的联芳基醛的还原胺化反应,完成了这些目标化合物的合成。所述化合物被筛选为D2和5-HT1A受体结合亲和力。结构-活性关系研究表明,环戊烯基吡啶和环戊烯基苄基对这些化合物的双重D2和5-HT1A受体结合亲和力有显著贡献。
  • [EN] PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS<br/>[FR] DÉRIVÉS PHÉNYLALANINES ET LEUR UTILISATION COMME MODULATEURS NON PEPTIDIQUES DU RÉCEPTEUR DE GLP-1
    申请人:ARGUSINA INC
    公开号:WO2011094890A1
    公开(公告)日:2011-08-11
    Provided herein are non-peptide GLP-1 receptor modulator compounds, for example, of Formula (I), pharmaceutical compositions comprising such compounds, and processes of preparation thereof. Also provided are methods of their use for the treatment of a metabolic disorder.
    本文提供了非肽类GLP-1受体调节剂化合物,例如,Formula (I)的化合物,包括这些化合物的药物组合物,以及其制备方法。还提供了这些化合物用于治疗代谢紊乱的方法。
  • [DE] VERFAHREN ZUR HERSTELLUNG VON NICOTINALDEHYDEN<br/>[EN] METHOD FOR THE PRODUCTION OF NICOTINALDEHYDES<br/>[FR] PROCEDE POUR PRODUIRE DES ALDEHYDES DE NICOTINE
    申请人:MERCK PATENT GMBH
    公开号:WO2004094383A1
    公开(公告)日:2004-11-04
    Die Erfindung betrifft ein Verfahren zur Herstellung von Nicotinaldehyden durch Reduktion der entsprechenden Nicotinsäure-Morpholinamide.
    这项发明涉及一种通过还原相应的尼古丁酸吗啡酰胺制备尼古丁醛的方法。
  • Synthesis of New 1-Aryl-4-(biarylmethylene)piperazine Ligands, Structurally Related to Adoprazine (SLV313)
    作者:Nisar Ullah
    DOI:10.1515/znb-2012-0113
    日期:2012.1.1

    A series of new 1-aryl-4-(biarylmethylene)piperazines has been synthesized. These ligands are structurally related to SLV-313, a potential atypical antipsychotic having potent D2 receptor antagonist and 5-HT1A receptor agonist properties. Buchwald-Hartwig coupling reactions of 1-boc-piperazine with appropriate aryl halides and subsequent removal of the boc group rendered arylpiperazines. The reductive amination of the latter with suitable biarylaldehydes accomplished the synthesis of these ligands.

    一系列新的1-芳基-4-(联苯亚甲基)哌嗪已经合成。这些配体在结构上与SLV-313相关,SLV-313是一种潜在的非典型抗精神病药物,具有强效的D2受体拮抗剂和5-HT1A受体激动剂特性。1-boc-哌嗪与适当的芳基卤代物进行Buchwald-Hartwig偶联反应,然后去除boc基团得到芳基哌嗪。后者与适当的联苯醛进行还原胺化反应,完成了这些配体的合成。
  • Heteroarylacrylamides and their use as pharmaceuticals for the stimulation of the expression of endothelial NO synthase
    申请人:sanofi-aventis
    公开号:EP1939180A1
    公开(公告)日:2008-07-02
    The present invention relates to heteroarylacrylamides of the formula I, in which Het, X, Ra, Rb, R1, R2 and R3 have the meanings indicated in the claims, which modulate the transcription of endothelial nitric oxide (NO) synthase and are valuable pharmacologically active compounds. Specifically, the compounds of the formula I upregulate the expression of the enzyme endothelial NO synthase and can be applied in conditions in which an increased expression of said enzyme or an increased NO level or the normalization of a decreased NO level is desired. The invention further relates to processes for the preparation of compounds of the formula I, to pharmaceutical compositions comprising them, and to the use of compounds of the formula I for the manufacture of a medicament for the stimulation of the expression of endothelial NO synthase or for the treatment of various diseases including cardiovascular disorders such as atherosclerosis, thrombosis, coronary artery disease, hypertension and cardiac insufficiency, for example.
    本发明涉及式I的杂环丙烯酰胺, 其中Het、X、Ra、Rb、R1、R2和R3具有权利要求中所示的含义,这些化合物调节内皮型一氧化氮(NO)合酶的转录,并且是有价值的药理活性化合物。具体地,式I的化合物上调内皮型一氧化氮合酶的表达,并可应用于需要增加该酶的表达或增加NO水平或恢复降低的NO水平的情况。本发明还涉及制备式I化合物的方法,包括它们的药物组合物,以及利用式I化合物制造用于刺激内皮型一氧化氮合酶表达或治疗各种疾病的药物,包括心血管疾病,如动脉粥样硬化、血栓形成、冠状动脉疾病、高血压和心脏功能不全等。
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