CAS: 941-98-0; 1'-Acetonaphthone

• 英文名称1'-Acetonaphthone
• 中文名称1-乙酰萘
• IUPAC名称1-(naphthalen-1-yl)ethan-1-one
• 其它别名1(萘- 1 -基)乙酮; 1乙酰基萘; 1-Acetylnaphthalene
• CAS编号941-98-0
• MFCD编号:MFCD00004013
• EINECS号:213-384-1
• 分子式:C12H10O
• 分子量:170.21
• 产品CID: 1989738
• 产品分类有机原料→分子砌块→芳环类化合物→萘类化合物

• 相似结构搜索
• 产品信息参考;;;
• InChIKey: QQLIGMASAVJVON-UHFFFAOYSA-N
• InChI=1S/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3…
• 计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数1.0

相似化合物

物理性质

• 熔点10-12°C
• 沸点297°C at 760 mmHg
• 闪点113°C
• 密度1.1±0.1 g/cm3
• PH:6.5-7.0 (H2O)
• PSA:17.07
• LogP:3.0424
• 折射率1.615
• 蒸汽压0.0±0.6 mmHg at 25°C
• 溶解性0.2G/l
• 敏感性1.常温常压下稳定，避免氧化物接触.2.口服有害，使用时应避免吸入本品的蒸气，避免与眼睛及皮肤接触。3. 存在于烟气中。
• 外观形态透明淡黄色至黄色粉末
• 储存条件密封, 常温干燥保存
• 产品应用染料和医药的中间体.
• 性质描述微黄色液体.熔点34°C,沸点296°C,154-157°C(2kPa),143-145°C(0.8kPa),相对密度1.1171-1.1191(20/4°C),折光率1.629-1.631.不溶于水,溶于一般有机溶剂.

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)
  水生慢性毒性 类别3
  皮肤腐蚀/刺激 类别2
  皮肤致敏 类别1
  特定目标器官毒性 - 单次接触 类别3
  严重眼刺激 类别2
  水生慢性毒性 类别4
  严重眼刺激 类别2A
  皮肤致敏 类别1B
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H412 |对水生生物有害并具有长期持续影响.
  H315 |造成皮肤刺激.
  H317 |可能引起皮肤过敏反应.
  H335 |可能引起呼吸道刺激.
  H319 |造成严重眼刺激.
  H413 |可能对水生生物造成长期有害影响.
• 防范说明P264-P270-P273-P330-P501
• UN编号NONH for all modes of transport
• 危险品标志Xi,Xn
• 风险等级Irritant
• 安全声明26-36
• 危险类别码36/37/38-22
• WGK Germany-

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 1'-Acetonaphthone 主要起始原料 1-Ethynylnaphthalene
• 1517-72-2 = 941-98-0
  反应条件:1.1 Reagents: Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Catalysts: Iodobenzene,Ruthenium Trichloride Solvents: Acetonitrile,Water; 7 H,Rt
  标题:Transition Metal-Mediated Oxidations Utilizing Monomeric Iodosyl- And Iodylarene Species
  作者:Yusubov,Mekhman S.; Nemykin,Victor N.; Zhdankin,Viktor V.
  参考文献:Tetrahedron 日期:2010 卷标:66(31) 页码:5745-5752]
  
  1517-72-2 = 941-98-0
  反应条件:1.1 Catalysts: Sodium Tungsten Oxide (Na2Wo4),Tetrabutylammonium Hydrogen Sulfate Solvents: Tert-Butanol; Rt -> 90 °C1.2 Reagents: Hydrogen Peroxide Solvents: Water; 90 °C; 30 Min,90 °C
  标题:A Versatile Method For The Hydrogen Peroxide Oxidation Of Alcohols Using Ptc Conditions In Tert-Butanol
  作者:Chhikara,Bhupender S.; Chandra,Ramesh; Tandon,Vibha
  参考文献:Synlett 日期:2005 卷标:(5) 页码:872-874]
  
  1517-72-2 = 941-98-0
  反应条件:1.1 Reagents: Potassium Tert-Butoxide,Oxygen Catalysts: Tempo,Copper(Ii) Triflate,5-(2-Pyrrolidinyl)-2H-Tetrazole Solvents: Dimethylformamide; 0.5 H,25 °C
  标题:Heterocycle-Substituted Tetrazole Ligands For Copper-Catalysed Aerobic Oxidation Of Alcohols
  作者:Liu,Yangyang; Xie,Aming; Li,Junjian; Xu,Xiao; Dong,Wei; Et Al
  参考文献:Tetrahedron 日期:2014 卷标:70(52) 页码:9791-9796]
  
  15727-65-8 = 941-98-0
  反应条件:1.1 Reagents: Sulfuric Acid,Oxygen Catalysts: (Sp-5-13)-(Acetato-Ko)[[2,2′-[1,2-Ethanediylbis[(Nitrilo-Kn)Methylidyne]]Bis[phe... Solvents: Methanol,Water; 20 H,80 °C
  标题:A Salen-Co3+ Catalyst For The Hydration Of Terminal Alkynes And In Tandem Catalysis With Ru-Tsdpen For The One-Pot Transformation Of Alkynes Into Chiral Alcohols
  作者:Wang,Shoufeng; Miao,Chengxia; Wang,Wenfang; Lei,Ziqiang; Sun,Wei
  参考文献:Chemcatchem 日期:2014 卷标:6(6) 页码:1612-1616]
  
  99747-74-7 = 941-98-0
  反应条件:1.1 Reagents: Methyldicyclohexylamine Catalysts: Bis(1,5-Cyclooctadiene)Nickel,1,1-Bis(Diphenylphosphino)Ferrocene Solvents: 1,4-Dioxane; 20 H,100 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 1 H,Rt
  标题:Mild And Efficient Nickel-Catalyzed Heck Reactions With Electron-Rich Olefins
  作者:Goegsig,Thomas M.; Kleimark,Jonatan; Nilsson Lill,Sten O.; Korsager,Signe; Lindhardt,Anders T.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2012 卷标:134(1) 页码:443-452]
  
  1517-72-2 = 941-98-0
  反应条件:1.1 Reagents: Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Catalysts: Iodobenzene,Ruthenium Trichloride Solvents: Acetonitrile,Water; 7 H,Rt
  标题:Iodine(V)/ruthenium(Iii)-Cocatalyzed Oxidations: A Highly Efficient Tandem Catalytic System For The Oxidation Of Alcohols And Hydrocarbons With Oxone
  作者:Yusubov,Mekhman S.; Zagulyaeva,Aleksandra A.; Zhdankin,Viktor V.
  参考文献:Chemistry - A European Journal 日期:2009 卷标:15(42) 页码:11091-11094]
  
  917-54-4 + 86-53-3 = 941-98-0
  反应条件:1.1 Solvents: Tetrahydrofuran,Hexamethylphosphoramide1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Dearomatization Of 1- And 2-Cyanonaphthalene Through Nucleophilic Conjugate Addition
  作者:Andujar Sanchez,Carmen M.; Iglesias,Ma Jose; Lopez Ortiz,Fernando
  参考文献:Tetrahedron Letters 日期:2002 卷标:43(14) 页码:2565-2568]
  
  165275-97-8 = 941-98-0
  反应条件:1.1 Reagents: Silver Acetate Solvents: Dimethylformamide1.2 Reagents: N-Bromosuccinimide Solvents: Dimethylformamide
  标题:Hofmann Rearrangement Of α-Hydroxyamides
  作者:Jew,Sang-Sup; Kang,Myoung-Hee
  参考文献:Archives Of Pharmacal Research 日期:1994 卷标:17(6) 页码:490-1]
  
  1127-76-0 = 941-98-0
  反应条件:1.1 Reagents: Oxygen Catalysts: Hydrochloric Acid Solvents: Acetonitrile,Water; 8 H,Rt
  标题:HCL-Catalyzed Aerobic Oxidation Of Alkylarenes To Carbonyls
  作者:Niu,Kaikai; Shi,Xiaodi; Ding,Ling; Liu,Yuxiu; Song,Hongjian; Et Al
  参考文献:Chemsuschem 日期:2022 卷标:15(2)]
  
  1517-72-2 = 941-98-0
  反应条件:1.1 Reagents: N-Chloro-N-(Phenylsulfonyl)Benzenesulfonamide Solvents: Acetonitrile; 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]
  
  1127-76-0 = 941-98-0
  反应条件:1.1 Reagents: Methanesulfinic Acid,1,1,1-Trifluoro-,Sodium Salt (1:1),Oxygen Solvents: Acetonitrile; 12 H,1 Atm,Rt
  标题:Aerobic Oxidation System Containing Sulfinic Acid,Sulfonic Acid Or Derivatives Thereof And Photocatalytic Oxidation Method Therefor
  参考文献:World Intellectual Property Organization]
  
  1517-72-2 = 941-98-0
  反应条件:1.1 Reagents: Oxygen Catalysts: Sodium Chloride,Molybdate(5-),[μ6-[orthoperiodato(5-)-O,O′:O,O′′′′′:O′,O′′:O′′,O′′′:O′′′,O′′′′:... Solvents: Acetonitrile,Water; 20 H,1 Atm,70 °C
  标题:Highly Practical And Efficient Preparation Of Aldehydes And Ketones From Aerobic Oxidation Of Alcohols With An Inorganic-Ligand Supported Iodine Catalyst
  作者:Zhang,Mengqi; Zhai,Yongyan; Ru,Shi; Zang,Dejin; Han,Sheng; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2018 卷标:54(72) 页码:10164-10167]
  
  1517-72-2 = 941-98-0
  反应条件:1.1 Reagents: Potassium Peroxymonosulfate Sulfate (2Khso5.Khso4.K2So4) Catalysts: Hexadecyltrimethylammonium Bromide,2-Iodobenzenesulfonic Acid Solvents: Water; 2 H,Rt
  标题:2-Iodoxybenzenesulfonic Acid-Catalyzed Oxidation Of Primary And Secondary Alcohols With Oxone In Cetyltrimethylammonium Bromide Micelles At Room Temperature
  作者:Liu,Yangyang; Wang,Boliang
  参考文献:Journal Of Chemical Research 日期:2014 卷标:38(7) 页码:427-431]
  
  102421-44-3 = 941-98-0
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: 2-[[[3-(Trihydroxysilyl)Propyl]Amino]Seleno]Benzoyl Chloride (Silica-Supported) Solvents: Tetrahydrofuran,Water; Rt; 20 H,55 °C1.2 Catalysts: Platinum1.3 Reagents: Sodium Bicarbonate,Sodium Chloride Solvents: Water
  标题:Hydroperoxide Oxidation Of Different Organic Compounds Catalyzed By Silica-Supported Selenenamide
  作者:Giurg,M.; Brzaszcz,M.; Mlochowski,J.
  参考文献:Polish Journal Of Chemistry 日期:2006 卷标:80(3) 页码:417-428]
  
  1517-72-2 = 941-98-0
  反应条件:1.1 Catalysts: Ethyl 2-Mercaptopropionate,2,4,5,6-Tetra(9H-Carbazol-9-Yl)Isophthalonitrile Solvents: Ethyl Acetate; 3 H,Rt
  标题:Photochemical Hydrogen Atom Transfer Catalysis For Dehydrogenation Of Alcohols To Form Carbonyls
  作者:Yang,Xiaona; Guo,Yunfei; Tong,Hong'En; Guo,Hongyu; Liu,Rongfang; Et Al
  参考文献:Organic Letters 日期:2023 卷标:25(29) 页码:5486-5491]
  
  105-56-6 + 13922-41-3 = 941-98-0
  反应条件:1.1 Reagents: Oxygen Catalysts: Palladium Diacetate,2-(3,5-Dimethyl-1H-Pyrazol-1-Yl)Pyridine Solvents: Trifluoromethanesulfonic Acid,Water; 5 H,60 °C1.2 Reagents: Sodium Bicarbonate Solvents: Water; Neutralized
  标题:Palladium Catalyzed Decarboxylative Acylation Of Arylboronic Acid With Ethyl Cyanoacetate As A New Acylating Agent: Synthesis Of Alkyl Aryl Ketones
  作者:Yousuf,Md; Das,Tuluma; Adhikari,Susanta
  参考文献:New Journal Of Chemistry 日期:2015 卷标:39(11) 页码:8763-8770]
  
  1517-72-2 = 941-98-0
  反应条件:1.1 Reagents: Chromate(1-),Chlorotrioxo-,(T-4)-,Hydrogen,Compd. With 4-Methylpyridine (1:1... Solvents: Dichloromethane
  标题:γ-Picolinium Chlorochromate (γ-Pcc): A New And Efficient Reagent For The Oxidation Of Primary And Secondary Alcohols
  作者:Khodaie,Mohammad Mehdi; Salehi,Peyman; Goodarzi,Maryam
  参考文献:Synthetic Communications 日期:2001 卷标:31(8) 页码:1253-1256]
  
  99747-74-7 = 941-98-0
  反应条件:1.1 Reagents: Triethylamine Catalysts: Lead Diacetate,1,3-Bis(Diphenylphosphino)Propane Solvents: Dimethylformamide1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Ligand-Controlled α-Regioselectivity In Palladium-Catalyzed Arylation Of Butyl Vinyl Ether
  作者:Cabri,Walter; Candiani,Ilaria; Bedeschi,Angelo; Santi,Roberto
  参考文献:Journal Of Organic Chemistry 日期:1990 卷标:55(11) 页码:3654-5]
  
  139214-46-3 = 941-98-0
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Sodium Iodide,Iron(Iii) Acetylacetonate Solvents: Ethyl Acetate,Water; 20 H,Rt1.2 Reagents: Sodium Thiosulfate Solvents: Water; Rt
  标题:Environmentally Benign Deprotection Of Dithioacetals Using 30% Hydrogen Peroxide Catalyzed By Fe(Acac)3 And Sodium Iodide
  作者:Kirihara,Masayuki; Suzuki,Satoshi; Ishizuka,Yuki; Yamazaki,Kento; Matsushima,Ryoji; Et Al
  参考文献:Tetrahedron Letters 日期:2013 卷标:54(40) 页码:5477-5480]
  
  134576-01-5 = 941-98-0
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; 0.5 H,Rt
  标题:Ionic Liquid-Promoted Regioselective Catalysis By Palladium
  作者:Mo,Jun; Hyder,Zeyn; Xu,Lijun; Xiao,Jianliang
  参考文献:Proceedings - Electrochemical Society 日期:2006 卷标:2004 页码:2004-24

海关参考信息

• 2902600000-乙苯
  2902902000-精萘
  2912110000-甲醛
  2912120000-乙醛
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• 详情请参考：📖 海关编码查询和海关进出口税则

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• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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