CAS: 86-95-3; 4-Hydroxyquinolin-2(1H)-One

• 英文名称4-Hydroxyquinolin-2(1H)-One
• 中文名称2,4-二羟基喹啉
• IUPAC名称4-hydroxyquinolin-2(1H)-one
• 其它别名2,4-喹啉二醇; 24喹啉二醇
• CAS编号86-95-3
• MFCD编号:MFCD00277932
• EINECS号:201-711-0
• FDA UNII编号:N58HX8G9CN
• 分子式:C9H7NO2
• 分子量:161.16
• 产品CID: 1873392
• 产品分类有机原料→分子砌块→芳杂环类化合物→喹啉类化合物

• 相似结构搜索
• InChIKey: HDHQZCHIXUUSMK-UHFFFAOYSA-N
• InChI=1S/C9H7NO2/c11-8-5-9(12)10-7-4-2-1-3-6(7)8/h1-5H,(H2,10,11,12)…
• 计算化学: 氢键受体数2.0氢键供体数2可旋转键数0

相似化合物

物理性质

• 熔点>300°C
• 沸点287.44 °C at 760 mmHg
• 闪点201.0±28.7 °C
• 密度1.4±0.1 g/cm3
• pKa:4.50±1.00(预测)
• PSA:53.09
• LogP:1.2337
• 折射率1.658
• 蒸汽压0.0±1.0 mmHg at 25°C
• 溶解性Aqueous Base (Slightly), DMSO (Slightly)
• 外观形态极浅棕色粉末
• 储存条件惰性气氛,室温
• 产品应用咪喹莫特中间体

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  致突变性 类别2
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H341 |怀疑导致遗传缺陷.
• 防范说明P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
• 危险等级IRRITANT
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明26-37/39
• 危险类别码36/37/38
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 120450-95-5 = 86-95-3
  反应条件:1.1 Reagents: Sodium Hydrogen Telluride Solvents: Ethanol
  标题:Sodium Hydrogen Telluride-An Efficient Reagent For Deblocking Of Aryl Ethyl Carbonates
  作者:Shobana,N.; Et Al
  参考文献:Indian Journal Of Chemistry 日期:1988 卷标:(10) 页码:965-6]
  
  105-53-3 = 86-95-3 [标题:Reaction Conditions
  标题:One-Step Synthesis Of 4-Hydroxycarbostyrils. Vi
  作者:Mohamed,El Hossain Ali
  参考文献:Journal Of The Chemical Society Of Pakistan 日期:1991 卷标:13(3) 页码:166-8]
  
  15580-32-2 = 86-95-3
  反应条件:1.1 Reagents: Methanesulfonic Acid,Mixt. With Phosphorus Oxide (P2O5); 6 H,90 °C
  标题:One-Step Synthesis Of 3-Unsubstituted 4-Hydroxy-2(1H)-Quinoline
  作者:Sun,Qingrong; Et Al
  参考文献:Indian Journal Of Heterocyclic Chemistry 日期:2021 卷标:31(3) 页码:435-441]
  
  15580-32-2 = 86-95-3
  反应条件:1.1 Reagents: Methanesulfonic Anhydride; 3 H,60 °C
  标题:Mild,Efficient,And Solvent-Free Synthesis Of 4-Hydroxy-2-Quinolinones
  作者:Atalay,Sanberk S.; Et Al
  参考文献:Tetrahedron Letters 日期:2020 卷标:61(16)]
  
  53341-66-5 = 86-95-3
  反应条件:1.1 Reagents: Methanesulfonic Acid,Mixt. With Phosphorus Oxide (P2O5) Catalysts: Aluminum Chloride; 6 H,90 °C
  标题:One-Step Synthesis Of 3-Unsubstituted 4-Hydroxy-2(1H)-Quinoline
  作者:Sun,Qingrong; Et Al
  参考文献:Indian Journal Of Heterocyclic Chemistry 日期:2021 卷标:31(3) 页码:435-441]
  
  541-16-2 = 86-95-3
  反应条件:1.1 Reagents: Methanesulfonic Acid,Mixt. With Phosphorus Oxide (P2O5) Catalysts: Aluminum Chloride; 140 °C
  标题:One-Step Synthesis Of 3-Unsubstituted 4-Hydroxy-2(1H)-Quinoline
  作者:Sun,Qingrong; Et Al
  参考文献:Indian Journal Of Heterocyclic Chemistry 日期:2021 卷标:31(3) 页码:435-441]
  
  16662-90-1 = 86-95-3 [标题:Reaction Conditions
  标题:Production Of Quinolone Derivatives In Escherichia Coli
  作者:Park,Yeo-Jin; Et Al
  参考文献:Applied Biological Chemistry 日期:2022 卷标:65(1)]
  
  1942906-94-6 = 86-95-3
  反应条件:1.1 Reagents: Cesium Carbonate Solvents: Dimethylformamide; 1 H,Rt
  标题:Oxidative Fragmentations And Skeletal Rearrangements Of Oxindole Derivatives
  作者:Klare,Hendrik F. T.; Et Al
  参考文献:Organic Letters 日期:2017 卷标:19(5) 页码:988-991]
  
  1942906-94-6 = 86-95-3
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Dimethylformamide; 2 H,Rt
  标题:Sequential Oxidative-Fragmentation And Skeletal Rearrangement Of Peroxides For The Synthesis Of Quinazolinone Derivatives
  作者:Ubale,Akash S.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(14) 页码:9621-9636]
  
  141-82-2 = 86-95-3
  反应条件:1.1 Reagents: Zinc Chloride,Phosphorus Oxychloride; 36 H,65 °C
  标题:Synthesis Of Zwitterionic 4-Hydroxy-2(1H)-Quinolinone Derivatives
  作者:Zhang,Sheng-Ling; Et Al
  参考文献:Tetrahedron 日期:2008 卷标:64(19) 页码:4403-4407]
  
  371940-45-3 = 86-95-3
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; 30 Min,Reflux
  标题:4-Hydroxy-2-Quinolones. Part 97. Simple Synthesis Of The Esters Of 4-Halo-Substituted 2-Oxo-1,2-Dihydroquinoline-3-Carboxylic Acids
  作者:Ukrainets,I. V.; Et Al
  参考文献:Chemistry Of Heterocyclic Compounds (New York 日期:2006 卷标:42(7) 页码:882-885]
  
  551-93-9 = 86-95-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Toluene
  标题:A Convenient One-Pot Synthesis Of 4-Hydroxycoumarin,4-Hydroxythiocoumarin,And 4-Hydroxyquinolin-2(1H)-One
  作者:Jung,Jae-Chul; Et Al
  参考文献:Synthetic Communications 日期:2001 卷标:31(8) 页码:1195-1200]
  
  551-93-9 = 86-95-3
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Toluene; 0 °C; 2 H,0 °C -> 80 °C; 80 °C -> Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; 10 Min,Rt1.3 Reagents: Citric Acid Solvents: Water; Ph 6,Rt
  标题:Design,Synthesis And Pharmacological Activities Of C-Met Inhibitors Derivatives
  作者:Huang,Dao-Wei; Et Al
  参考文献:Zhongguo Yaowu Huaxue Zazhi 日期:2016 卷标:26(2) 页码:90-97]
  
  551-93-9 = 86-95-3 [标题:Reaction Conditions
  标题:Product Class 4: Quinolinones And Related Systems
  作者:Larsen,R. D.
  参考文献:Science Of Synthesis 日期:2005 卷标:15 页码:551-660]
  
  2033-24-1 = 86-95-3
  反应条件:1.1 2 H,80 °C1.2 -
  标题:Synthesis And Antifungal Activity Of Novel Strobilurin Compounds Containing 2(1H)-Quinolinone
  作者:Tian,Yangguang; Et Al
  参考文献:Nongyaoxue Xuebao 日期:2011 卷标:13(6) 页码:641-644]
  
  59019-36-2 = 86-95-3
  反应条件:1.1 Reagents: Sodium Bicarbonate,Hydrochloric Acid Solvents: Water
  标题:Preparation And Properties Of ο-Formamido And ο-Aminobenzoylacetic Acids,Two Possible Biological Breakdown Products Of Tryptophan And Heteroauxin
  作者:Schopf,Clemens; Et Al
  参考文献:Chemische Berichte 日期:1956 卷标:89 页码:2877-86]
  
  105-53-3 = 86-95-3
  反应条件:1.1 Reagents: Methanesulfonic Acid,Mixt. With Phosphorus Oxide (P2O5) Catalysts: Aluminum Chloride; 6 H,90 °C; 90 °C -> 25 °C1.2 Reagents: Ammonium Hydroxide; Ph 6 - 7
  标题:One-Step Synthesis Of 3-Unsubstituted 4-Hydroxy-2(1H)-Quinoline
  作者:Sun,Qingrong; Et Al
  参考文献:Indian Journal Of Heterocyclic Chemistry 日期:2021 卷标:31(3) 页码:435-441]
  
  105-53-3 = 86-95-3
  反应条件:1.1 Catalysts: Dimethylformamide; Heated
  标题:Efficient Chemoselective Alkylation Of Quinoline-2,4-Diol Derivatives In Water
  作者:Ahmed,Nafees; Et Al
  参考文献:Journal Of Heterocyclic Chemistry 日期:2010 卷标:48(1) 页码:237-240]
  
  108-59-8 = 86-95-3
  反应条件:1.1 Reagents: Methanesulfonic Acid,Mixt. With Phosphorus Oxide (P2O5) Catalysts: Aluminum Chloride; 140 °C
  标题:One-Step Synthesis Of 3-Unsubstituted 4-Hydroxy-2(1H)-Quinoline
  作者:Sun,Qingrong; Et Al
  参考文献:Indian Journal Of Heterocyclic Chemistry 日期:2021 卷标:31(3) 页码:435-441]
  
  15580-32-2 = 86-95-3
  反应条件:1.1 Catalysts: Trifluoromethanesulfonic Anhydride
  标题:Preparation Of Cyclic Ketones
  参考文献:Japan]
  
  621-10-3 = 86-95-3 [标题:Reaction Conditions
  标题:A Convenient Approach To The Synthesis Of Prenyl-,Furo- And Pyranoquinoline Alkaloids Of The Rutaceae
  作者:Shobana,N.; Et Al
  参考文献:Tetrahedron 日期:1989 卷标:45(3) 页码:757-62]
  
  621-10-3 = 86-95-3
  反应条件:1.1 Rt -> 140 °C; 6.5 H,140 °C
  标题:Synthesis Of 4-Chloro-2-Oxo-1,2-Dihydro-Quinoline-3-Formaldehyde
  作者:Song,Li-Qiang; Et Al
  参考文献:Xiandai Yaowu Yu Linchuang 日期:2014 卷标:29(10) 页码:1083-1085]
  
  73776-19-9 = 86-95-3
  反应条件:1.1 Reagents: Ammonia Solvents: Water; 15 H,Reflux; Reflux -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 1,Rt
  标题:The Discovery Of 3-(1-Aminoethylidene)Quinoline-2,4(1H,3H)-Dione Derivatives As Novel Psii Electron Transport Inhibitors
  作者:Liu,Yu-Xiu; Et Al
  参考文献:Molecular Diversity 日期:2013 卷标:17(4) 页码:701-710]
  
  53341-66-5 = 86-95-3
  反应条件:1.1 Rt -> 120 °C; Overnight,120 °C; 120 °C -> 140 °C; 2 H,140 °C1.2 Reagents: Ammonium Hydroxide Solvents: Water; Neutralized,Cooled
  标题:Studies On Quinoline Based Monoazo Disperse Dyes
  作者:Champaneri,Dina Y.; Et Al
  参考文献:Journal Of The Institution Of Chemists (India) 日期:2012 卷标:84(4) 页码:121-123]
  
  16662-90-1 = 86-95-3
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water
  标题:Preparation And Properties Of ο-Formamido And ο-Aminobenzoylacetic Acids,Two Possible Biological Breakdown Products Of Tryptophan And Heteroauxin
  作者:Schopf,Clemens; Et Al
  参考文献:Chemische Berichte 日期:1956 卷标:89 页码:2877-86]
  
  141-82-2 = 86-95-3
  反应条件:1.1 Catalysts: Dimethylformamide; 3 Min
  标题:Microwave Prompted Multigram Synthesis,Structural Determination,And Photo-Antiproliferative Activity Of Fluorinated 4-Hydroxyquinolinones
  作者:Arya,Kapil; Et Al
  参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2007 卷标:17(1) 页码:86-93]
  
  141-82-2 = 86-95-3
  反应条件:1.1 Reagents: Zinc Chloride,Phosphorus Oxychloride; 1 H,100 °C1.2 Reagents: Water; Cooled1.3 Reagents: Sodium Hydroxide Solvents: Water1.4 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Synthesis Of 4-Hydroxy-3-Formylideneamino-1H/methyl/phenylquinolin-2-Ones
  作者:Bhudevi,B.; Et Al
  参考文献:Indian Journal Of Chemistry 日期:2009 卷标:(2) 页码:255-260]
  
  15018-53-8 = 86-95-3
  反应条件:1.1 Reagents: Aluminum Chloride,Sodium Chloride
  标题:Syntheses Of Heterocycles. Lxvi. Simple Synthesis Of 4-Hydroxycarbostyril And Its Derivatives
  作者:Ziegler,E.; Et Al
  参考文献:Monatshefte Fuer Chemie 日期:1965 卷标:96(2) 页码:418-22]
  
  52670-38-9 = 86-95-3
  反应条件:1.1 Catalysts: Silver Nitrate,Guanidine,N,N,N′,N′-Tetramethyl-,Compd. With 1H-Imidazole (1:1); 6 H,0.1 Mpa,60 °C; 60 °C -> Rt1.2 Reagents: Nitric Acid Solvents: Water; Ph 2
  标题:Silver-Catalyzed Conversion Of Co2 And 2-Ethynylanilines Into 4-Hydroxyquinolin-2(1H)-Ones In Protic Ionic Liquid At Atmospheric Pressure
  作者:Feng,Qi; Et Al
  参考文献:Heterocycles 日期:2022 卷标:104(8) 页码:1486-1496]
  
  42997-26-2 = 86-95-3
  反应条件:1.1 Reagents: Sodium Hydrogen Telluride Solvents: Ethanol,Acetic Acid
  标题:Sodium Hydrogen Telluride - A New Convenient Reagent For Deblocking Allyl Carboxylates And Allyl Phenyl Ethers
  作者:Shobana,N.; Et Al
  参考文献:Indian Journal Of Chemistry 日期:1986 卷标:(6)]
  
  5946-43-0 = 86-95-3
  反应条件:1.1 Reagents: Methyl Salicylate Solvents: Tetrahydrofuran; Rt
  标题:Synthesis Of Coumarins,4-Hydroxycoumarins,And 4-Hydroxyquinolinones By Tellurium-Triggered Cyclizations
  作者:Dittmer,Donald C.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2005 卷标:70(12) 页码:4682-4686]
  
  2033-24-1 = 86-95-3
  反应条件:1.1 2 H,80 °C1.2 Reagents: Sodium Bicarbonate Solvents: Ethyl Acetate,Water1.3 Reagents: Methanesulfonic Acid,Mixt. With Phosphorus Oxide (P2O5); 1 H,80 °C; Cooled1.4 Reagents: Water; 30 Min,0 °C
  标题:Stereoselective Synthesis Of Natural Product Inspired Carbohydrate Fused Pyrano[3,2-C]Quinolones As Antiproliferative Agents
  作者:Kumari,Priti; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2018 卷标:16(12) 页码:2049-2059]
  
  2033-24-1 = 86-95-3
  反应条件:1.1 1 H,80 °C1.2 2 H,70 °C
  标题:Clean And Convenient One-Pot Synthesis Of 4-Hydroxycoumarin And 4-Hydroxy-2-Quinolinone Derivatives
  作者:Gao,Wen-Tao; Et Al
  参考文献:Synthetic Communications 日期:2010 卷标:40(5) 页码:732-738

海关参考信息

• 2902200000-苯
  2933310010-吡啶
  2905199090-其他饱和一元醇
  2939800000-其他生物碱
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