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2-乙酰基-4-苯基噻吩 | 26170-93-4

中文名称
2-乙酰基-4-苯基噻吩
中文别名
——
英文名称
5-Acetyl-3-phenyl-thiophen
英文别名
1-(4-Phenylthiophen-2-yl)ethan-1-one;1-(4-phenylthiophen-2-yl)ethanone
2-乙酰基-4-苯基噻吩化学式
CAS
26170-93-4
化学式
C12H10OS
mdl
——
分子量
202.277
InChiKey
DGPMAEGGTASVJO-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):
    3.2
  • 重原子数:
    14
  • 可旋转键数:
    2
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.08
  • 拓扑面积:
    45.3
  • 氢给体数:
    0
  • 氢受体数:
    2

反应信息

  • 作为反应物:
    描述:
    2-乙酰基-4-苯基噻吩原甲酸三甲酯对甲苯磺酸一水合物乙醚碳酸氢钠 、 Brine 、 Sodium sulfate-III 作用下, 以 甲醇 为溶剂, 反应 16.0h, 生成 2-(1,1-Dimethoxyethyl)-3-phenylthiophene
    参考文献:
    名称:
    Aminopyrimidine compounds and methods of use
    摘要:
    本发明涉及对苯并咪唑化合物的使用,用于治疗由极化样激酶1(Plk1)介导的疾病。本发明还涉及这种氨基嘧啶化合物及其组合物在治疗与异常细胞生长和不必要的细胞增殖相关的疾病状态中的治疗用途。
    公开号:
    US07858785B2
  • 作为产物:
    描述:
    2-乙酰基噻吩乙烯缩醛苯磺酰氯双(乙腈)氯化钯(II)lithium carbonate 作用下, 以 1,4-二氧六环 为溶剂, 反应 40.0h, 以61%的产率得到2-乙酰基-4-苯基噻吩
    参考文献:
    名称:
    苯磺酰氯:在钯催化的噻吩直接芳基化中获得替代区域异构体的新试剂†
    摘要:
    钯催化的苯磺酰氯与噻吩衍生物的偶联使区域选择性地进入β-芳基噻吩。该反应在容易获得的催化剂,碱和底物的情况下进行,没有氧化剂或配体,并且在苯和噻吩部分上均具有多种取代基。
    DOI:
    10.1039/c3sc52420e
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文献信息

  • [EN] 3, 4-DISUBSTITUTED 1H-PYRAZOLE COMPOUNDS AND THEIR USE AS CYCLIN DEPENDENT KINASES (CDK) AND GLYCOGEN SYNTHASE KINASE-3 (GSK-3) MODULATORS<br/>[FR] COMPOSES 1H-PYRAZOLE 3,4-DISUBSTITUES ET LEUR UTILISATION EN TANT QUE KINASES DEPENDANT DES CYCLINES (CDK) ET MODULATEURS DE LA GLYCOGENE SYNTHASE KINASE-3 (GSK-3)
    申请人:ASTEX TECHNOLOGY LTD
    公开号:WO2005012256A1
    公开(公告)日:2005-02-10
    The invention provides compounds of the formula (0) or salts or tautomers or N-oxides or solvates thereof for use in the prophylaxis or treatment of disease states and conditions such as cancers mediated by cyclin-dependent kinase and glycogen synthase kinase-3. Formula (0). In formula (0): X is a group R1-A-NR4- or a 5- or 6-membered carbocyclic or heterocyclic ring; A is a bond, S02, C=O, NRg(C=O) or O(C=O) wherein Rg is hydrogen or C1-4 hydrocarbyl optionally substituted by hydroxy or C1-4 alkoxy; Y is a bond or an alkylene chain of 1, 2 or 3 carbon atoms in length; R1 is hydrogen; a carbocyclic or heterocyclic group having from 3 to 12 ring members; or a C1-8 hydrocarbyl group optionally substituted by one or more substituents selected from halogen (e.g. fluorine), hydroxy, C1-4 hydrocarbyloxy, amino, mono- or di-C1-4 hydrocarbylamino, and carbocyclic or heterocyclic groups having from 3 to 12 ring members, and wherein 1 or 2 of the carbon atoms of the hydrocarbyl group may optionally be replaced by an atom or group selected from 0, S, NH, SO, S02; R2 is hydrogen; halogen; C1-4 alkoxy (e.g. methoxy); or a C1-4 hydrocarbyl group optionally substituted by halogen (e.g. fluorine), hydroxyl or C1-4 alkoxy (e.g. methoxy); R3 is selected from hydrogen and carbocyclic and heterocyclic groups having from 3 to 12 ring members; and R4 is hydrogen or a C1-4 hydrocarbyl group optionally substituted by halogen (e.g. fluorine), hydroxyl or C1-4 alkoxy (e.g. methoxy).
    该发明提供了以下式(0)的化合物或其盐或互变异构体或N-氧化物或其溶剂合物,用于预防或治疗由细胞周期依赖性激酶和糖原合成酶-3介导的癌症等疾病状态和病症。在式(0)中:X是一个基团R1-A-NR4-或一个5-或6-成员的碳环或杂环;A是一个键,S02,C=O,NRg(C=O)或O(C=O),其中Rg是氢或C1-4烃基,可以选择性地被羟基或C1-4烷氧基取代;Y是一个键或一个由1、2或3个碳原子组成的烷基链;R1是氢;一个具有3到12个环成员的碳环或杂环基团;或一个C1-8烃基,可以选择性地被卤素(如)、羟基、C1-4烷氧基、基、单或双C1-4烃基基以及具有3到12个环成员的碳环或杂环基团取代,其中烃基的1或2个碳原子可以选择性地被从0、S、NH、SO、S02中选择的原子或基团所取代;R2是氢;卤素;C1-4烷氧基(如甲氧基);或一个C1-4烃基,可以选择性地被卤素(如)、羟基或C1-4烷氧基(如甲氧基)取代;R3从氢和具有3到12个环成员的碳环或杂环基团中选择;R4是氢或一个C1-4烃基,可以选择性地被卤素(如)、羟基或C1-4烷氧基(如甲氧基)取代。
  • Cyclic derivatives as modulators of chemokine receptor activity
    申请人:Cherney J. Robert
    公开号:US20070032541A1
    公开(公告)日:2007-02-08
    The present application describes modulators of MCP-1 of formula (I): or pharmaceutically acceptable salt forms thereof, useful for the prevention of rheumatoid arthritis, multiple sclerosis, atherosclerosis and asthma, processes for preparing and intermediates thereof.
    本申请描述了 MCP-1 的调节剂,其化学式为 (I) 或其药学上可接受的盐形式,可用于预防类风湿性关节炎、多发性硬化症、动脉粥样硬化和哮喘,以及其制备过程和中间体。
  • CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY
    申请人:Cherney J. Robert
    公开号:US20080114052A1
    公开(公告)日:2008-05-15
    The present application describes modulators of MCP-1 of formula (I): or pharmaceutically acceptable salt forms thereof, useful for the prevention of rheumatoid arthritis, multiple sclerosis, atherosclerosis and asthma, processes for preparing and intermediates thereof.
    本申请描述了MCP-1的调节剂,其化学式为(I),或其药学上可接受的盐形式,用于预防类风湿性关节炎、多发性硬化症、动脉粥样硬化和哮喘,以及其制备方法和中间体。
  • Combinations of Pyrazole Kinase Inhibitors and Further Antitumor Agents
    申请人:Curry Jayne Elizabeth
    公开号:US20080161355A1
    公开(公告)日:2008-07-03
    The invention provides a combination of a compound having the formula (0) and two or more further anti-cancer agents: or salts or tautomers or N-oxides or solvates thereof; wherein X is a group R 1 -A-NR 4 — or a 5- or 6-membered carbocyclic or heterocyclic ring; A is a bond, SO2, C═O, NR 9 (C═O) or 0(C═O) wherein R 9 is hydrogen or C 1-4 hydrocarbyl optionally substituted by hydroxy or C 1-4 alkoxy; Y is a bond or an alkylene chain of 1, 2 or 3 carbon atoms in length; R 1 is hydrogen; a carbocyclic or heterocyclic group having from 3 to 12 ring members; or a C 1-8 hydrocarbyl group optionally substituted by one or more substituents selected from halogen (e.g. fluorine), hydroxy, C 1-4 hydrocarbyloxy, amino, mono- or di-C 1-4 hydrocarbylamino, and carbocyclic or heterocyclic groups having from 3 to 12 ring members, and wherein 1 or 2 of the carbon atoms of the hydrocarbyl group may optionally be replaced by an atom or group selected from O, S, NH, SO, SO 2 ; R 2 is hydrogen; halogen; C 1-4 alkoxy (e.g. methoxy); or a C 1-4 hydrocarbyl group optionally substituted by halogen (e.g. fluorine), hydroxyl or C 1-4 alkoxy (e.g. methoxy); R 3 is selected from hydrogen and carbocyclic and heterocyclic groups having from 3 to 12 ring members; and R 4 is hydrogen or a C 1-4 hydrocarbyl group optionally substituted by halogen (e.g. fluorine), hydroxyl or C 1-4 alkoxy (e.g. methoxy).
    本发明提供了一种由具有公式(0)的化合物和两种或更多进一步的抗癌剂组成的组合物:或其盐或互变异构体或N-氧化物或溶剂化物;其中X是一个R1-A-NR4-或一个5-或6-成员的碳环或杂环环;A是一个键,SO2,C═O,NR9(C═O)或0(C═O),其中R9是氢或C1-4烃基,可以选择地被羟基或C1-4烷氧基取代;Y是一个键或长度为1、2或3个碳原子的烷基链;R1是氢;具有3到12个环成员的碳环或杂环基团;或者是一个C1-8烃基,可以选择地被一个或多个取代基所取代,所述取代基选自卤素(例如)、羟基、C1-4烃氧基、基、单-或双C1-4烃基基和具有从3到12个环成员的碳环或杂环基团,其中烃基的1或2个碳原子可以选择性地被O、S、NH、SO、SO2中的一个原子或基取代;R2是氢;卤素;C1-4烷氧基(例如甲氧基);或一个C1-4烃基,可以选择地被卤素(例如)、羟基或C1-4烷氧基(例如甲氧基)所取代;R3选自氢和具有从3到12个环成员的碳环和杂环基团;R4是氢或一个C1-4烃基,可以选择地被卤素(例如)、羟基或C1-4烷氧基(例如甲氧基)所取代。
  • Pharmaceutical Compounds
    申请人:Curry Jayne Elizabeth
    公开号:US20080161251A1
    公开(公告)日:2008-07-03
    The invention provides a combination of a cytotoxic compound or signalling inhibitor and a compound having the formula (0): or salts or tautomers or N-oxides or solvates thereof; wherein X is a group R 1 -A-NR 4 - or a 5- or 6-membered carbocyclic or heterocyclic ring; A is a bond, SO 2 , C═O, NR g (C═O) or 0(C═O) wherein R g is hydrogen or C 1-4 hydrocarbyl optionally substituted by hydroxy or C 1-4 alkoxy; Y is a bond or an alkylene chain of 1, 2 or 3 carbon atoms in length; R 1 is hydrogen; a carbocyclic or heterocyclic group having from 3 to 12 ring members; or a C 1-8 hydrocarbyl group optionally substituted by one or more substituents selected from halogen (e.g. fluorine), hydroxy, C 1-4 hydrocarbyloxy, amino, mono- or di-C 1-4 hydrocarbylamino, and carbocyclic or heterocyclic groups having from 3 to 12 ring members, and wherein 1 or 2 of the carbon atoms of the hydrocarbyl group may optionally be replaced by an atom or group selected from O, S, NH, SO, SO 2 ; R 2 is hydrogen; halogen; C 1-4 alkoxy (e.g. methoxy); or a C 1-4 hydrocarbyl group optionally substituted by halogen (e.g. fluorine), hydroxyl or C 1-4 alkoxy (e.g. methoxy); R 3 is selected from hydrogen and carbocyclic and heterocyclic groups having from 3 to 12 ring members; and R 4 is hydrogen or a C 1-4 hydrocarbyl group optionally substituted by halogen (e.g. fluorine), hydroxyl or C 1-4 alkoxy (e.g. methoxy).
    本发明提供了一种细胞毒性化合物或信号抑制剂与式(0)的化合物或其盐、互变异构体、N-氧化物或溶剂化物的组合物;其中X是一个R1-A-NR4-或5-或6-成员的碳环或杂环;A是一个键,SO2,C═O,NRg(C═O)或0(C═O),其中Rg是氢或C1-4羟基或C1-4烷氧基取代的烷基;Y是一个键或1、2或3个碳原子长的烷基链;R1是氢;一个从3到12个环成员的碳环或杂环基团;或一个C1-8烷基基团,可选地取代一个或多个取代基,所述取代基选自卤素(例如)、羟基、C1-4烷氧基、基、C1-4单取代或双取代烷基基和从3到12个环成员的碳环或杂环基团,其中烷基基团的1或2个碳原子可以选为O、S、NH、SO或SO2中的原子或基团;R2是氢;卤素;C1-4烷氧基(例如甲氧基);或一个C1-4烷基基团,可选地取代卤素(例如)、羟基或C1-4烷氧基(例如甲氧基);R3选自氢和从3到12个环成员的碳环或杂环基团;R4是氢或一个C1-4烷基基团,可选地取代卤素(例如)、羟基或C1-4烷氧基(例如甲氧基)。
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