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2-乙基喹唑啉-4-醇 | 3137-64-2

中文名称
2-乙基喹唑啉-4-醇
中文别名
4-羟基-2-乙基喹唑啉
英文名称
2-ethyl-3H-quinazolin-4-one
英文别名
2-ethylquinazolin-4(3H)-one;2-ethyl-4(3H)-quinazolinone;2-ethylquinazoline-4 (3H)-one;2-ethyl-4-oxo-3,4-dihydroquinazoline;2-Ethylquinazolin-4(1H)-one
2-乙基喹唑啉-4-醇化学式
CAS
3137-64-2
化学式
C10H10N2O
mdl
MFCD00247024
分子量
174.202
InChiKey
LUANCFNZZLKBOQ-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

物化性质

  • 熔点:
    236-237℃
  • 沸点:
    317℃
  • 密度:
    1.22
  • 闪点:
    146℃
  • 保留指数:
    1788;1788;1788

计算性质

  • 辛醇/水分配系数(LogP):
    1.2
  • 重原子数:
    13
  • 可旋转键数:
    1
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.2
  • 拓扑面积:
    41.5
  • 氢给体数:
    1
  • 氢受体数:
    2

安全信息

  • 海关编码:
    2933990090

SDS

SDS:b0fb6d56984863b9bc78f2888509710c
查看

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
    2-甲基-4(3H)-喹唑酮 2-methyl-4-quinazolone 1769-24-0 C9H8N2O 160.175
    3-氨基-2-乙基-4(3H)-喹唑啉酮 3-amino-2-ethylquinazoline-4(3H)-one 50547-51-8 C10H11N3O 189.217
    2-乙基喹唑啉 2-ethylquinazoline 6141-05-5 C10H10N2 158.203
    —— 3-(acetoxyamino)-2-ethylquinazolin-4(3H)-one 114914-23-7 C12H13N3O3 247.254
    N-(2-乙基-4-氧喹唑啉-3-基)乙酰胺 3-acetylamino-2-ethylquinazolin-4(3H)-one 6761-24-6 C12H13N3O2 231.254
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量
    4-羟基-2-异丙基喹唑啉 2-Isopropyl-3H-quinazolin-4-one 13182-64-4 C11H12N2O 188.229
    —— (-)-(S)-2-(α-Hydroxyethyl)-4(3H)-quinazolinone 42599-89-3 C10H10N2O2 190.202
    2-乙酰基-4(3H)-喹唑啉酮 2-acetylquinazolin-4(3H)-one 17244-28-9 C10H8N2O2 188.186
    —— 2-(1-bromoethyl)quinazolin-4(3H)-one 144189-81-1 C10H9BrN2O 253.098
    —— 2-ethyl-3-propylquinazolin-4(3H)-one 94418-48-1 C13H16N2O 216.283
    —— 3-butyl-2-ethylquinazolin-4(3H)-one 94418-49-2 C14H18N2O 230.31
    —— 2-ethyl-3-(morpholinomethyl)quinazolin-4(3H)-one 67130-16-9 C15H19N3O2 273.335
    —— ethyl [2-ethyl-4-oxoquinazolin-3-(4H)-yl]acetate 216596-59-7 C14H16N2O3 260.293
    4-氯-2-乙基喹唑啉 4-chloro-2-ethylquinazoline 38154-40-4 C10H9ClN2 192.648
    —— 2-ethyl-3H-quinazoline-4-thione 69729-68-6 C10H10N2S 190.269

反应信息

  • 作为反应物:
    描述:
    参考文献:
    名称:
    Phosphodiesterase inhibitory properties of losartan. design and synthesis of new lead compounds
    摘要:
    A 4-centre PDE 4 pharmacophore search has been carried out in several 3D-databases containing compounds belonging to different therapeutic areas. Losartan, an angiotensin-II antagonist, has been identified as a new lead compound for developping PDE 4 inhibitors. New families of compounds derived from losartan has been synthesized and their PDE inhibition has been measured. (C) 1998 Elsevier Science Ltd. All rights reserved.
    DOI:
    10.1016/s0960-894x(98)00058-4
  • 作为产物:
    描述:
    2-硝基苯甲腈盐酸 、 alkaline hydrogen peroxide solution 、 tin(ll) chloride 作用下, 生成 2-乙基喹唑啉-4-醇
    参考文献:
    名称:
    Bogert; Hand, Journal of the American Chemical Society, 1902, vol. 24, p. 1042
    摘要:
    DOI:
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文献信息

  • Lewis-Acid-Catalysed Activation of Nitriles: A Microwave-Assisted Solvent-Free Synthesis of 2,4-Disubstituted Quinazolines and 1,3-Diazaspiro[5.5]undec-1-enes
    作者:Ujwal Pratim Saikia、Geetika Borah、Pallab Pahari
    DOI:10.1002/ejoc.201701585
    日期:2018.3.14
    A single‐step, solvent‐free, and transitionmetalfree reaction for the synthesis of quinazolines/quinazolinones starting from 2‐amino carbonyl compounds, and of 1,3‐diazaspiro[5.5]undec‐1‐ene derivatives starting from N‐tosyl‐2‐(cyclohexenyl)ethylamines, is reported. The Lewisacid‐catalysed activation of nitriles is a key feature of this reaction.
    一种从2-氨基羰基化合物开始合成喹唑啉/喹唑啉酮和从N开始的1,3-二氮杂螺[5.5]十一碳烯-1-烯衍生物的单步,无溶剂和无过渡金属反应报道了甲苯磺酰基-2-(环己烯基)乙胺。路易斯酸催化的腈活化是该反应的关键特征。
  • Convenient synthesis of 2,3-disubstituted quinazolin-4(3H)-ones and 2-styryl-3-substituted quinazolin-4(3H)-ones: applications towards the synthesis of drugs
    作者:Dinesh Kumar、Pradeep S. Jadhavar、Manesh Nautiyal、Himanshu Sharma、Prahlad K. Meena、Legesse Adane、Sahaj Pancholia、Asit K. Chakraborti
    DOI:10.1039/c5ra03888j
    日期:——

    Simple, convenient, and green synthetic protocols have been developed for the one pot synthesis of 2,3-disubstituted quinazolin-4(3H)-ones and 2-styryl-3-substituted quinazolin-4(3H)-ones under catalyst and solvent free conditions.

    已开发出简单、方便且绿色的合成方案,用于在无催化剂和溶剂的条件下一锅法合成2,3-二取代喹唑啉-4(3H)-酮和2-苯乙烯基-3-取代喹唑啉-4(3H)-酮。
  • Visible light induced tandem reactions: An efficient one pot strategy for constructing quinazolinones using in-situ formed aldehydes under photocatalyst-free and room-temperature conditions
    作者:Zongbo Xie、Jin Lan、Haibo Zhu、Gaoyi Lei、Guofang Jiang、Zhanggao Le
    DOI:10.1016/j.cclet.2020.09.059
    日期:2021.4
    aminobenzamides and in-situ generated aldehydes. Visible light was found to play a dual role: first oxidizes the alcohol to the aldehyde and then facilitates its cyclization with o-substituted aniline. Furthermore, alcohols are perfect alternatives to aldehydes because they are greener, more available, more economical, more stable, and less toxic than aldehydes. The first reaction step continuously
    已经开发了一种从各种氨基苯甲酰胺和原位生成的醛构建喹唑啉酮的简便串联途径。发现可见光起着双重作用:首先将醇氧化成醛,然后促进其与邻苯二甲酸的环化。取代的苯胺。此外,醇是醛的完美替代品,因为它们比醛更绿色,更易得,更经济,更稳定且毒性更低。第一反应步骤连续地为第二步骤提供材料,该材料有效地减少了由于醛的挥发,氧化和聚合而造成的损失,同时避免了其毒性。可以在可见光存在下制备各种喹唑啉酮,而无需任何其他光催化剂。发达的合成方案具有温和条件,广泛的底物范围,操作简便和高原子效率的优点,并在无金属,无光催化剂和环境条件下具有生态能源。
  • Aziridination of 2- and 3-phenyl-substituted allylic alcohols with 3-acetoxyaminoquinazolinones: probing the nature of the transition state from the diastereoselectivity of aziridination
    作者:Robert S. Atkinson、Sabri Ulukanli、Paul J. Williams
    DOI:10.1039/a902577d
    日期:——
    Aziridination of phenyl-substituted allylic alcohol 10 with 3-acetoxyaminoquinazolinone 3 (Q1NHOAc) and with 22 (Q2NHOAc) has been studied. The diastereoselectivity of these reactions is markedly changed by carrying them out in the presence of aqueous sodium hydrogen carbonate solution and under these conditions aziridinations of 10 and of its ester analogue 5 with Q2NHOAc give the same magnitude and
    已经研究了苯基取代的烯丙醇10与3-乙酰氧基氨基喹唑啉酮3(Q 1 NHOAc)和22(Q 2 NHOAc)的氮化。通过在碳酸氢钠水溶液中进行这些反应,可以显着改变这些反应的非对映选择性,并且在这些条件下,将10及其酯类似物5与Q 2 NHOAc进行叠氮化可以得到相同的幅度和非对映选择性(用Ph CO 2我)。非对映选择性的这些变化的解释是基于在存在和不存在乙酸的情况下,在用于10叠氮化的过渡态中氢键性质的差异。
  • Building Heterocyclic Systems with RC(OR)2+ Carbocations in Recyclable Brønsted Acidic Ionic Liquids: Facile Synthesis of 1-Substituted 1H-1,2,3,4-Tetrazoles, Benzazoles and Other Ring Systems with CH(OEt)3 and EtC(OEt)3 in [EtNH3][NO3] and [PMIM(SO3H)][O
    作者:Gopalakrishnan Aridoss、Kenneth K. Laali
    DOI:10.1002/ejoc.201100128
    日期:2011.5
    IL-1/CH(OEt) 3 . The latter was also formed from 2-aminobenzoic acid in IL-1/CH(OEt) 3 . Mechanistic implications are addressed. The reported protocols enable rapid assembly of a host of heterocyclic systems in high yields with the added advantage of recycling and reuse of the ILs.
    1-芳基/烷基-1H-1,2,3,4-四唑可以通过与TMSN 3 和CH(OEt) 3 反应,使用容易获得的、可回收的、布朗斯台德酸性从相应的胺在一锅反应中方便地合成离子液体 [EtNH 3] -[NO 3 ] IL-1 和 [PMIM(SO 3 H)][OTf] IL-2 在温和条件下以高收率。基于对比反应,虽然两种 IL 都是极好的促进剂,但使用 IL-2 可以在更短的反应时间和更高的产率下完成反应。在提供的 24 个实施例中,除了 2-氨基苯甲酸与 IL-2 形成四唑和 IL-1 形成 2-乙基喹唑啉-4(3H)-one 外,通过两种 IL 获得了相同的产物。通过从反应中排除 TMS-N 3,原位形成的 CH(OEt) 2 + 和 Et-C(OEt) 2 +(通过它们相应的原酸酯)在超声处理下与带有各种取代基的邻苯二胺、邻氨基苯硫酚和邻氨基苯酚反应,形成一系列广泛的苯并咪唑(苯并咪唑
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