CAS: 89-84-9; 2,4-Dihydroxyacetophenone

• 英文名称2,4-Dihydroxyacetophenone
• 中文名称2,4-二羟基苯乙酮
• IUPAC名称1-(2,4-dihydroxyphenyl)ethan-1-one
• 其它别名2',4'-Dihydroxyacetophenone ; 89-84-9 ; 2,4-Dihydroxyacetophenone ; Resacetophenone ; 1-(2,4-Dihydroxyphenyl)Ethanone ; 4-Acetylresorcinol ; Resoacetophenone ; Ethanone, 1-(2,4-Dihydroxyphenyl)- ; 1-Acetyl-2,4-Dihydroxybenzene ; Resorcinol, 4-Acetyl- ; 1-(2,4-Dihydroxyphenyl
• CAS编号89-84-9
• MFCD编号:MFCD00002279
• EINECS号:201-945-3
• FDA UNII编号:UC3V356VZC
• 分子式:C8H8O3
• 分子量:152.15
• 产品CID: 1920310
• 产品分类原料药 → 人工合成抗感染类药 → 消毒防腐药

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: SULYEHHGGXARJS-UHFFFAOYSA-N
• InChI=1S/C8H8O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,10-11H,1H3…
• 计算化学: 氢键受体数3.0氢键供体数2.0可旋转键数1.0

物理性质

• 熔点143-144.5 °C(文献)
• 沸点234.6°C (粗估)
• 闪点161.1 °C
• 密度1.18 g/mL at 25 °C(文献)
• PH:5 (1g/l, H2O, 20°C)
• pKa:7.96±0.18(预测)
• PSA:57.53
• LogP:1.480 (est)
• 折射率1.4945 (估算)
• 溶解性DMSO (Slightly), Methanol (Slightly)
• 敏感性易受潮
• 外观形态类白色至粉红色至棕色结晶粉末或块状物
• 储存条件惰性气氛,室温
• 产品应用用作有机合成中间体.医药工业用于制冠心病药乙氧黄酮等.
• 性质描述针状或叶状结晶.熔点147°C,相对密度1.180.在水中渐渐分解.溶于热醇,吡啶及冰醋酸中,几乎不溶于醚,苯和氯仿.与氯化铁作用显红色.质量标准外观白色固体含量＞99.5水份＜0.5溶点143-147°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS05;
  注释: Exclamation mark & Corrosion
• 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
  严重眼损伤 类别1
  严重眼刺激 类别2
• 警示词Danger(危险)
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H318 |造成严重眼损伤.
  H319 |造成严重眼刺激.
• 防范说明P264-P280-P305+P351+P338-P337+P313
• 危险品标志Xi
• 风险等级Irritant
• 安全声明26-36-24/25
• 危险类别码36/37/38
• WGK Germany2

欧盟法规

上下游产品

合成工艺路线路线简述

• 67828-36-8 = 89-84-9
  反应条件:1.1 Reagents: N-Chloro-N-(Phenylsulfonyl)Benzenesulfonamide Catalysts: Divinylbenzene-Styrene Copolymer (Reaction Products With Tempo),Piperidinium,2,2,6,6-Tetramethyl-1-Oxo-,Chloride (1:1) (Reaction Products With Styrene-Divinylbenzene Copolymer) Solvents: Chloroform; 2 Min,20 - 25 °C1.2 Reagents: N-Chloro-N-(Phenylsulfonyl)Benzenesulfonamide; 5 Min,20 - 25 °C
  标题:Rapid,Chemoselective And Mild Oxidation Protocol For Alcohols And Ethers With Recyclable N-Chloro-N-(Phenylsulfonyl)Benzenesulfonamide
  作者:Palav,Amey; Misal,Balu; Ganwir,Prerna; Badani,Purav; Chaturbhuj,Ganesh
  参考文献:Tetrahedron Letters 日期:2021 卷标:73]
  
  = 89-84-9
  反应条件:1.1 Catalysts: Alumina,Zinc Chloride; 1.8 Min,40 °C
  标题:Regioselective Direct Ortho C-Acylation Of Phenol And Naphthol Derivatives Catalyzed By Modified Zncl2 On Al2O3 As Catalyst Under Solvent-Free And Microwave Conditions
  作者:Naeimi,Hossein; Amini,Atefeh; Moradian,Mohsen
  参考文献:Organic Chemistry Frontiers 日期:2014 卷标:1(4) 页码:415-421]
  
  = 89-84-9
  反应条件:1.1 Catalysts: Iron Chloride (Fecl3); 1.33 Min; Rt
  标题:Regioselective Ortho-Acylation Of Phenol And Naphthol Derivatives Catalyzed By Fecl3 Under Microwave Conditions
  作者:Naeimi,H.; Moradi,L.
  参考文献:Russian Journal Of Organic Chemistry 日期:2007 卷标:43(12) 页码:1757-1759]
  
  = 89-84-9
  反应条件:1.1 1.5 H,135 °C
  标题:Synthesis Of Intermediate 2,4-Dihydroxy Acetophenone
  作者:Cao,Xiao-Yan; Liu,Xiao-Feng; Wang,Jian-Guo
  参考文献:Guangzhou Huagong 日期:2011 卷标:39(8) 页码:87-89]
  
  = 89-84-9
  反应条件:1.1 Catalysts: Zinc Chloride; 75 S,40 °C
  标题:Zncl2@mwcnts Nanocomposite As An Efficient And Reusable Catalyst For Direct Regioselective Ortho C-Acylation Of Phenolic Compounds Under Solvent-Free And Microwave Conditions
  作者:Moradian,Mohsen; Amini,Atefeh; Naeimi,Hossein
  参考文献:Green Chemistry Letters And Reviews 日期:2017 卷标:10(4) 页码:228-234]
  
  = 89-84-9
  反应条件:1.1 Reagents: Boron Trifluoride Etherate Solvents: Ethyl Acetate; Rt; 12 H,60 °C
  标题:Facile Synthesis Of Fisetin And Its Analogues
  作者:Chu,Mingi; Kang,Dong Wook
  参考文献:Journal Of The Korean Chemical Society 日期:2021 卷标:65(1) 页码:67-69]
  
  = 89-84-9
  反应条件:1.1 Catalysts: Tin Tetrachloride; 2 Min,50 °C
  标题:Facile,Convenient And Regioselective Direct Ortho-Acylation Of Phenols And Naphthols Catalyzed By Lewis Acids Under Solvent Free And Microwave Conditions
  作者:Naeimi,Hossein; Moradi,Leila
  参考文献:Journal Of Molecular Catalysis A: Chemical 日期:2006 卷标:256(1-2) 页码:242-246]
  
  = 89-84-9
  反应条件:1.1 Reagents: Zinc Chloride; 80 Min,60 °C
  标题:Zncl2:2Hoac: A Deep Eutectic Solvent For The Friedel-Crafts Acetylation Of Poly-Phenols And Chemo-Selective Protection Of Alcohols
  作者:Tamaddon,Fatemeh; Rashidi,Hossein
  参考文献:Research On Chemical Intermediates 日期:2023 卷标:49(8) 页码:3589-3603]
  
  65490-08-6 = 89-84-9
  反应条件:1.1 Catalysts: Tungstophosphoric Acid (H6P2W18O62) Solvents: Methanol,Tetrahydrofuran; 45 Min,70 °C
  标题:Efficient Deprotection Of Methoxymethyl Ethers Of Phenols Using A Solid Acid Catalyst With Wells-Dawson Structure
  作者:Romanelli,G.; Autino,J. C.; Baronetti,G.; Thomas,H.
  参考文献:International Electronic Conferences On Synthetic Organic Chemistry 日期:2004 卷标:1429 页码:1429-1434]
  
  65490-08-6 = 89-84-9
  反应条件:1.1 Catalysts: Tungstate(6-),Hexatriaconta-μ-Oxooctadecaoxobis[μ9-[phosphato(3-)-Ko:Ko:Ko:Ko′:... Solvents: Methanol,Tetrahydrofuran
  标题:Efficient Deprotection Of Phenol Methoxymethyl Ethers Using A Solid Acid Catalyst With Wells-Dawson Structure
  作者:Romanelli,G.; Autino,J. C.; Baronetti,G.; Thomas,H.
  参考文献:Molecules [online Computer File] 日期:2001 卷标:6(12) 页码:1006-1011]
  
  160015-65-6 = 89-84-9
  反应条件:1.1 Solvents: Ethanol,Water
  标题:Formation Of Bf2 Chelates During Acylation Of Resorcinol And 4-Cyclohexylresorcinol With Carboxylic Acids In The Presence Of Bf3 Etherate
  作者:Panasenko,A. I.; Polyanskaya,N. L.; Starkov,S. P.
  参考文献:Zhurnal Obshchei Khimii 日期:1994 卷标:64(4) 页码:673-6]
  
  2628-16-2 = 89-84-9
  反应条件:1.1 Solvents: Water; Ph 7.56,Rt; Rt -> 35 °C1.2 Catalysts: Acyltransferase; 18 H,35 °C1.3 Solvents: Acetonitrile; 35 °C
  标题:Acyl Donors And Additives For The Biocatalytic Friedel-Crafts Acylation
  作者:Schmidt,Nina G.; Kroutil,Wolfgang
  参考文献:European Journal Of Organic Chemistry 日期:2017 卷标:2017(39) 页码:5865-5871]
  
  72712-19-7 = 89-84-9
  反应条件:1.1 Reagents: Sodium Acetate Solvents: Ethanol,Water; 5 H,Reflux
  标题:Naoac-Mediated Selective Deprotection Of Aromatic Acetates And Its Application In The Synthesis Of Natural Products
  作者:Narender,T.; Reddy,K. Papi; Madhur,G.
  参考文献:Synthetic Communications 日期:2009 卷标:39(11) 页码:1949-1956]
  
  = 89-84-9
  反应条件:1.1 Catalysts: Zinc Chloride; 1.5 Min,Rt1.2 Reagents: Sodium Bicarbonate Solvents: Dichloromethane,Water; Rt
  标题:Efficient And Mild Synthesis Of Ortho-Hydroxyaryl Ketones Catalyzed By Zinc Chloride Under Solvent-Free Conditions And Microwave Irradiation
  作者:Naeimi,Hossein; Moradi,Leila
  参考文献:Catalysis Communications 日期:2006 卷标:7(12) 页码:1067-1071]
  
  = 89-84-9
  反应条件:1.1 Catalysts: Boron Trifluoride Etherate; 2 Min
  标题:Microwave-Assisted Direct Ortho-Acylation Of Phenol And Naphthol Derivatives By Bf3.(C2H5)2O
  作者:Naeimi,Hossein; Moradi,Leila
  参考文献:Bulletin Of The Chemical Society Of Japan 日期:2005 卷标:78(2) 页码:284-287]
  
  = 89-84-9
  反应条件:1.1 Catalysts: Boron Trifluoride Etherate; 15 Min,Rt -> 60 °C; 60 °C -> Rt; 24 H,Rt
  标题:Synthesis And Biological Evaluation Of Pyranoisoflavone Derivatives As Anti-Inflammatory Agents
  作者:Wei,Zhe; Yang,Youzhe; Xie,Caifeng; Li,Chunyan; Wang,Guangcheng; Et Al
  参考文献:Fitoterapia 日期:2014 卷标:97 页码:172-183]
  
  74021-55-9 = 89-84-9
  反应条件:1.1 Reagents: Boron Trifluoride Etherate Solvents: 1,4-Dioxane; 3 - 6 H,Rt
  标题:Highly Efficient And Selective Deprotection Method For Prenyl,Geranyl,And Phytyl Ethers And Esters Using Boron Trifluoride-Etherate
  作者:Narender,T.; Venkateswarlu,K.; Madhur,G.; Reddy,K. Papi
  参考文献:Synthetic Communications 日期:2013 卷标:43(1) 页码:26-33]
  
  = 89-84-9
  反应条件:1.1 Catalysts: Zinc Chloride; 5 H,140 °C
  标题:Preparation Of Intermediate 2,4-Dihydroxyacetophenone With High Yield
  作者:Lu,Ya-Ping; Zhe,Jin-Huan; Yang,Zhong-Yu
  参考文献:Zhejiang Gongye Daxue Xuebao 日期:2002 卷标:30(2) 页码:109-111]
  
  197571-05-4 = 89-84-9
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 1.5 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3,Rt
  标题:Discovery Of Phenoxybutanoic Acid Derivatives As Potent Endothelin Antagonists With Antihypertensive Activity
  作者:Cai,Jin; Liu,Ligang; Hong,Kwon Ho; Wang,Peng; Li,Lushen; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2015 卷标:23(4) 页码:657-667

海关参考信息

• 2902600000-乙苯
  2907221000-对苯二酚
  2912110000-甲醛
  2912120000-乙醛
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