CAS: 83-72-7; 2-Hydroxy-1,4-Naphoquinone

• 英文名称2-Hydroxy-1,4-Naphoquinone
• 中文名称2-羟基-1,4-萘醌
• 其它别名2-Hydroxy-p-naphthoquinone
• CAS编号83-72-7
• MFCD编号:MFCD00001678
• EINECS号:201-496-3
• FDA UNII编号:TLH4A6LV1W
• 分子式:C10H6O3
• 分子量:174.15
• 产品CID: 1825432
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• InChIKey: CSFWPUWCSPOLJW-UHFFFAOYSA-N
• InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数0.0

物理性质

• 熔点192-195 °C
• 沸点265.11 °C at 760 mmHg
• 闪点173.6±24.4 °C
• 密度1.5±0.1 g/cm3
• pKa:4.31±0.10(预测)
• PSA:54.37
• LogP:1.5075
• 折射率1.681
• 蒸汽压0.0±0.8 mmHg at 25°C
• 溶解性Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)
• 外观形态黄色结晶粉末
• 储存条件密封, 常温干燥保存
• 产品应用染发剂,杀菌剂.
• 性质描述亮黄色棱状结晶.熔点195-196°C(分解).溶于冰醋酸.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(经口)
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  特定目标器官毒性 - 单次接触 类别3
  致突变性 类别2
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H335 |可能引起呼吸道刺激.
  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
• UN编号NONH for all modes of transport
• 危险品标志Xi,Xn
• 安全声明26-37/39-36/37/39-36
• 危险类别码36/37/38-68-36-22
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 135-19-3 = 83-72-7
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Catalysts: Manganate(4-),Chloro[[4,4′,4′′,4′′′-(21H,23H-Porphine-5,10,15,20-Tetrayl-Kn21,K... Solvents: Water; 25 °C; 15 Min,22 °C
  标题:Selective Oxidation Of 2-Naphthol To 2-Hydroxy-1,4-Naphthoquinone With Hydrogen Peroxide Catalyzed By 5,10,15,20-Tetrakis(P-Sulfonatophenyl)Porphinatomanganese(Iii) Chloride In Aqueous Solution.
  作者:Hassanein,M.; Et Al
  参考文献:Catalysis Communications 日期:2017 卷标:97 页码:134-137]
  
  15448-58-5 = 83-72-7 [标题:Reaction Conditions
  标题:Reaction Of 1,4-Naphthoquinone α-Oxide With Hydrochloric And Hydrobromic Acids
  作者:Bobrov,A. I.; Et Al
  参考文献:Ukrainskii Khimicheskii Zhurnal (Russian Edition) 日期:1979 卷标:45(9) 页码:900-1]
  
  529-34-0 = 83-72-7
  反应条件:1.1 Reagents: Potassium Carbonate,Potassium Hydroxide,Oxygen Catalysts: Polyethylene Glycol,Rhenium Carbonyl Solvents: 1,2-Dimethoxyethane
  标题:Oxidation Of Cyclic Ketones Catalyzed By Polyethylene Glycol And Rhenium Carbonyl Under Basic And Exceptionally Mild Conditions
  作者:Osowska-Pacewicka,Krystyna; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(4) 页码:808-10]
  
  529-34-0 = 83-72-7
  反应条件:1.1 Reagents: Potassium Tert-Butoxide,Oxygen Solvents: Tert-Butanol; 2 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Acidified,Rt
  标题:Naphtho[2,3-B]Furan-4,9-Dione Synthesis Via Palladium-Catalyzed Reverse Hydrogenolysis
  作者:Li,Jimei; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2019 卷标:55(16) 页码:2348-2351]
  
  1785-67-7 = 83-72-7
  反应条件:1.1 Reagents: Sodium Methoxide Solvents: Methanol; 30 Min,Rt; 4 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Rt
  标题:Discovery Of Juglone And Its Derivatives As Potent Sars-Cov-2 Main Proteinase Inhibitors
  作者:Cui,Jiahua; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2021 卷标:225]
  
  2227541-27-5 = 83-72-7
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol,Water; 1 H,70 °C1.2 Reagents: Hydrogen Peroxide Solvents: Water
  标题:Design,Synthesis And Activity Of Bbi608 Derivatives Targeting On Stem Cells
  作者:Zhou,Qifan; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2018 卷标:151 页码:39-50]
  
  2348-82-5 = 83-72-7
  反应条件:1.1 Reagents: Aluminum Chloride Solvents: Dichloromethane; 3 H,40 °C1.2 Solvents: Water; 0 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Synthesis Of Pharmacologically Important Naphthoquinones And Anticancer Activity Of 2-Benzyllawsone Through Dna Topoisomerase-Ii Inhibition
  作者:Kumar,Balagani Sathish; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2017 卷标:25(4) 页码:1364-1373]
  
  2348-82-5 = 83-72-7
  反应条件:1.1 Reagents: Sodium Hydroxide
  标题:Synthesis And Antioxidant Activity Of Novel Series Of Naphthoquinone Derivatives Attached To Benzothiophene Moiety
  作者:Gouda,Moustafa A.; Et Al
  参考文献:Medicinal Chemistry (Los Angeles 日期:2013 卷标:3(2) 页码:228-232]
  
  = 83-72-7
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water
  标题:Reactions Of N-Sulfinylarylamines With 1,4-Benzoquinone And 1,4-Naphthoquinone: Synthesis Of N-Arylsulfinamoyl Quinones And Their Hydrolysis To Hydroxyquinones
  作者:Amarasekara,Ananda S.; Et Al
  参考文献:Journal Of The Chemical Society 日期:1995 卷标:(13) 页码:1653-8]
  
  90-15-3 = 83-72-7
  反应条件:1.1 Reagents: Potassium Tert-Butoxide,Oxygen Catalysts: Carbamide Peroxide Solvents: Tert-Butanol; 24 H,Rt; 0 °C1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:One-Pot Synthesis Of 2-Hydroxy-1,4-Naphthoquinone (Lawsone)
  作者:Sivakumar,Dhanavel; Et Al
  参考文献:Current Organic Synthesis 日期:2019 卷标:16(3) 页码:431-434]
  
  574-00-5 = 83-72-7
  反应条件:1.1 Reagents: Potassium Superoxide Solvents: Toluene,Tetrahydrofuran
  标题:Reactivity Of Potassium Superoxide In Heterogeneous Phase. Oxidation Of Naphthalenediols To Hydroxynaphthoquinones
  作者:De Min,Martine; Et Al
  参考文献:Tetrahedron 日期:1992 卷标:48(10) 页码:1869-82]
  
  70871-48-6 = 83-72-7 [标题:Reaction Conditions
  标题:Photochemistry Of 2-Arenesulfonyloxy-2-Cyclohexenone. A Convenient α-Arylation Of 1,2-Cyclohexanediones
  作者:Feigenbaum,Alexander; Et Al
  参考文献:Tetrahedron Letters 日期:1979 卷标:(6) 页码:537-40]
  
  83-72-7 = 83-72-7
  反应条件:1.1 Reagents: Erbium Chloride Solvents: Methanol,Water; 45 Min,60 °C1.2 Reagents: Ammonia Solvents: Water; 3 H,Ph 5 - 6,60 °C
  标题:Spectral And Antibacterial Investigations Of Er(Iii) Juglonates
  作者:Shinde,Vishwambhar P.; Et Al
  参考文献:International Journal Of Chemtech Research 日期:2017 卷标:10(3) 页码:740-748]
  
  134056-33-0 = 83-72-7
  反应条件:1.1 Reagents: Trifluoroacetic Acid
  标题:Regiospecific Synthesis Of Hydroxyquinones And Related Compounds From 3-Tert-Butoxycyclobutene-1,2-Dione
  作者:Heerding,Julia M.; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1991 卷标:56(12) 页码:4048-50]
  
  15448-58-5 = 83-72-7
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,O-Xylene1.2 Reagents: Sulfuric Acid Solvents: Water
  标题:Preparation Of 2-Hydroxy-1,4-Naphthoquinone
  参考文献:Japan]
  
  15448-58-5 = 83-72-7
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Methanol; 15 Min,Rt; 1 H,45 - 50 °C; 45 °C -> 25 °C1.2 Solvents: Methanol,Water; 60 °C
  标题:Production Method Of 2-Hydroxynaphthoquinone-1,4
  参考文献:Poland]
  
  529-34-0 = 83-72-7
  反应条件:1.1 Reagents: Sodium Tert-Butoxide Solvents: Tert-Butanol
  标题:Quinones. Vii. New Routes To 2-Hydroxy-1,4-Naphthaquinones
  作者:Baillie,A. C.; Et Al
  参考文献:Journal Of The Chemical Society [section] C: Organic 日期:1966 卷标:(23) 页码:2184-6]
  
  91345-20-9 = 83-72-7
  反应条件:1.1 Solvents: Water
  标题:Oxidative And Oxidative-Hydrolytic Transformations Of Organic Molecules. Iv. Oxidative-Hydrolytic Changes Of 2-Methyl-1,4-Naphthoquinone Oxide
  作者:Shchukina,L. A.; Et Al
  参考文献:Zhurnal Obshchei Khimii 日期:1949 卷标:19 页码:183-92]
  
  1785-67-7 = 83-72-7
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Methanol; 50 Min,Reflux1.2 Reagents: Sulfuric Acid,Water,Potassium Dichromate; Cooled1.3 Reagents: Sodium Hydroxide Solvents: Water; 20 Min,100 °C1.4 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Synthesis Of Lawsone As Dye
  作者:Li,Hong; Et Al
  参考文献:Advanced Materials Research (Durnten-Zurich 日期:2012 卷标:550 页码:550-553]
  
  130-15-4 = 83-72-7
  反应条件:1.1 Reagents: Acetic Anhydride Catalysts: Sulfuric Acid; 8 H,10 °C1.2 Reagents: Sodium Methoxide Solvents: Methanol; 30 Min,Rt; 4 H,Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Rt
  标题:Discovery Of Juglone And Its Derivatives As Potent Sars-Cov-2 Main Proteinase Inhibitors
  作者:Cui,Jiahua; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2021 卷标:225]
  
  13302-67-5 = 83-72-7
  反应条件:1.1 Reagents: Oxygen Catalysts: Ruthenium (Polymer-Supported Ruii-Pheox) Solvents: Dichloromethane; 2 H,1 Atm,25 °C
  标题:Aerobic Oxidation Of Dihydroxyarenes Substrates Catalyzed By Polymer-Supported Ruii-Pheox/silica-Gel: A Beneficial Route For Purification Of Industrial Water
  作者:Abu-Elfotoh,Abdel-Moneim
  参考文献:Letters In Organic Chemistry 日期:2022 卷标:19(3) 页码:236-243]
  
  90-15-3 = 83-72-7
  反应条件:1.1 Reagents: Sodium Hydroxide,Hydrogen Peroxide Catalysts: Iron Tetraphenylporphyrin Chloride Solvents: Methanol
  标题:Oxidation Of Naphthol With Hydroperoxide Catalyzed By Metalloporphyrins. (Ii) Mechanism For Preparation Of 2-Hydroxy-1,4-Naphthaqinone
  作者:Yan,Yan; Et Al
  参考文献:Gaodeng Xuexiao Huaxue Xuebao 日期:2000 卷标:21(1) 页码:108-111]
  
  132-86-5 = 83-72-7
  反应条件:1.1 Reagents: Oxygen,Zirconium Phosphate Catalysts: Iron(Iii) Phthalocyanine Solvents: 1,4-Dioxane,Water
  标题:Supported Metalated Phthalocyanine As Catalyst For Oxidation By Molecular Oxygen. Synthesis Of Quinones And Carbonyl Compounds
  作者:Villemin,Didier; Et Al
  参考文献:Synthetic Communications 日期:2002 卷标:32(10) 页码:1501-1515]
  
  132-86-5 = 83-72-7
  反应条件:1.1 Reagents: Potassium Superoxide Solvents: Toluene,Tetrahydrofuran
  标题:Reactivity Of Potassium Superoxide In Heterogeneous Phase. Oxidation Of Naphthalenediols To Hydroxynaphthoquinones
  作者:De Min,Martine; Et Al
  参考文献:Tetrahedron 日期:1992 卷标:48(10) 页码:1869-82]
  
  132-86-5 = 83-72-7
  反应条件:1.1 Reagents: 1-Imino-1H-Isoindol-3-Amine,Oxygen Catalysts: Cobalt (Cobalt-Exchanged Montmorillonite K10) Solvents: 1,4-Dioxane,Water; 6 H,Rt
  标题:Activated Zeolites And Heteropolyacids: An Efficient Catalysts For The Synthesis Of Triacetoxyaromatic Precursors Of Hydroxyquinones
  作者:Hadjila,Dokari; Et Al
  参考文献:Asian Journal Of Chemistry 日期:2013 卷标:25(11) 页码:6112-6116]
  
  574-00-5 = 83-72-7 [标题:Reaction Conditions
  标题:Example Of The Reaction At The Solid-Liquid Interface: Oxidation Of Naphthalenediols By Potassium Superoxide
  作者:Vidril-Robert,Daniele; Et Al
  参考文献:Tetrahedron Letters 日期:1984 卷标:25(5) 页码:529-32]
  
  574-00-5 = 83-72-7
  反应条件:1.1 Reagents: Tetraethylammonium Bromide,Potassium Superoxide Solvents: Dimethylformamide; 15 Min,Rt1.2 15 - 20 H,Rt
  标题:An Efficient C-C Bond Cleavage Of 1,2-Diols Using Tetraethylammonium Superoxide
  作者:Singh,Krishna Nand; Et Al
  参考文献:Indian Journal Of Chemistry 日期:2007 卷标:(8) 页码:1347-1351]
  
  70871-48-6 = 83-72-7 [标题:Reaction Conditions
  标题:Photochemical Reactivity Of α-Sulfonyloxy Enones: An Easy Method For Arylation Of 1,2-Diketones
  作者:Feigenbaum,Alexandre; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1984 卷标:49(13) 页码:2355-60]
  
  530-93-8 = 83-72-7 [标题:Reaction Conditions
  标题:Oxidation Of Tetralones By Potassium Superoxide Solubilized By Crown Ether
  作者:Hocquaux,Michel; Et Al
  参考文献:Tetrahedron Letters 日期:1984 卷标:25(5) 页码:533-6]
  
  530-93-8 = 83-72-7
  反应条件:1.1 Reagents: Potassium Carbonate,Potassium Hydroxide,Oxygen Catalysts: Polyethylene Glycol,Rhenium Carbonyl Solvents: 1,2-Dimethoxyethane
  标题:Oxidation Of Cyclic Ketones Catalyzed By Polyethylene Glycol And Rhenium Carbonyl Under Basic And Exceptionally Mild Conditions
  作者:Osowska-Pacewicka,Krystyna; Et Al
  参考文献:Journal Of Organic Chemistry 日期:1988 卷标:53(4) 页码:808-10]
  
  = 83-72-7 [标题:Reaction Conditions
  标题:Photochemical Reaction Of 2-Bromo-3-Methoxy-1,4-Naphthoquinone With Silylenol Ether - One-Pot Synthesis Of Polycyclic Aromatic Compounds
  作者:Maruyama,Kazuhiro; Et Al
  参考文献:Heterocycles 日期:1981 卷标:16(11) 页码:1963-74]
  
  = 83-72-7
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Methanol,Water
  标题:2-Hydroxy-1,4-Naphthoquinone
  作者:Fieser,L. F.; Et Al
  参考文献:Organic Syntheses 日期:1941 卷标:21 页码:56-9

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  2902600000-乙苯
  2912110000-甲醛
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