CAS: 943-27-1; 4'-Tert-Butylacetophenone

• 英文名称4'-Tert-Butylacetophenone
• 中文名称对叔丁基苯乙酮
• IUPAC名称1-(4-(tert-butyl)phenyl)ethan-1-one
• 其它别名1-[4-(1,1-二甲基乙基)苯基]乙酮
• CAS编号943-27-1
• MFCD编号:MFCD00017256
• EINECS号:213-399-3
• 分子式:C12H16O
• 分子量:176.26
• 产品CID: 1993278
• 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: UYFJYGWNYQCHOB-UHFFFAOYSA-N
• InChI=1S/C12H16O/c1-9(13)10-5-7-11(8-6-10)12(2,3)4/h5-8H,1-4H3…
• 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

物理性质

• 熔点17-18°C
• 沸点107-108 °C at 5 mmHg
• 闪点30°C
• 密度0.9±0.1 g/cm3
• PSA:17.07
• LogP:3.1867
• 折射率1.494
• 蒸汽压0.0±0.5 mmHg at 25°C
• 溶解性Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• 敏感性1. 常温常压下稳定，避免氧化物接触。2. 存在于烟气中。3. 丁基位置未确定，有多种异构体，上述基本参数是指4-叔丁基苯乙酮。
• 外观形态透明无色液体
• 储存条件密封, 常温干燥保存
• 产品应用用于医药中间体,有机合成.
• 性质描述该品为无色液体,能溶于醇,醚,微溶于水.熔点5°C.沸点107-108°C/665Pa.密度0.934.折光系数1.5200.

MSDS等安全信息

• GHS象形图
• GHS符号GHS02;
  注释: Flame
• 危险类别易燃液体 类别3
  易燃液体 类别2
• 警示词Warning(警告)
• 危险描述H226 |易燃液体和蒸气.
  H225 |高度易燃液体和蒸气.
• 防范说明P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
• 危险等级3
• UN编号1224.0
• 危险品标志Xn,Xi
• 包装等级Ⅲ
• 安全声明16-29-33-36/37/39-26
• 危险类别码10-36/37/38-20/21/22
• WGK Germany2

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 4'-Tert-Butylacetophenone 主要起始原料 4-(Tert-Butyl)Phenylacetylene
• 772-38-3 = 943-27-1
  反应条件:1.1 Reagents: Water Catalysts: Indium Triflate Solvents: Sulfur Dioxide; -78 °C; 16 - 18 H,8 Bar,60 °C
  标题:In(Iii) And Hf(Iv) Triflate-Catalyzed Hydration And Catalyst-Free Hydrohalogenation Of Aryl Acetylenes In Liquid Sulfur Dioxide
  作者:Suta,Krista; Turks,Maris
  参考文献:Acs Omega 日期:2018 卷标:3(12) 页码:18065-18077]
  
  34386-42-0 = 943-27-1
  反应条件:1.1 Catalysts: Iridium(2+),Triaqua[(1,2,3,4,5-η)-1,2,3,4,5-Pentamethyl-2,4-Cyclopentadien-1-Yl... (Ligand-Containing Organosilica Complexes),2,2′-Bipyridine,6,6′-Bis(Methoxymethoxy)-5,5′-Bis(Triethoxysilyl)-,Polymer Wit... (Deprotected,Ir Complexes) Solvents: Toluene; 6 H,Reflux
  标题:Iridium Complex Immobilized On Custom-Designed Periodic Mesoporous Organosilica As Reusable Catalyst For The Dehydrogenative Oxidation Of Alcohols
  作者:Shimizu,Mineyuki; Michikawa,Kumiko; Maegawa,Yoshifumi; Inagaki,Shinji; Fujita,Ken-Ichi
  参考文献:Acs Applied Nano Materials 日期:2020 卷标:3(3) 页码:2527-2535]
  
  1746-23-2 = 943-27-1
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide Catalysts: Palladium Diacetate,2-(1H-Indazol-1-Yl)Quinoline Solvents: Decane,1,1,1,3,3,3-Hexafluoro-2-Propanol; 12 H,60 °C
  标题:Pd-Catalyzed Tbhp-Mediated Selective Wacker-Type Oxidation And Oxo-Acyloxylation Of Olefins Using A 2-(1H-Indazol-1-Yl)Quinoline Ligand
  作者:Zhang,Shuaizhong; Zhang,Jinquan; Zou,Hongbin
  参考文献:Organic Letters 日期:2023 卷标:25(11) 页码:1850-1855]
  
  772-38-3 = 943-27-1
  反应条件:1.1 Catalysts: Tetrafluoroboric Acid,Pentacyclo[19.3.1.13,7.19,13.115,19]Octacosa-1(25),3,5,7(28),9,11,13(27),15,17,1... Solvents: Chloroform,Water; 24 H,60 °C
  标题:Hydration Of Aromatic Alkynes Catalyzed By A Self-Assembled Hexameric Organic Capsule
  作者:La Sorella,Giorgio; Sperni,Laura; Ballester,Pablo; Strukul,Giorgio; Scarso,Alessandro
  参考文献:Catalysis Science & Technology 日期:2016 卷标:6(15) 页码:6031-6036]
  
  772-38-3 = 943-27-1
  反应条件:1.1 Reagents: Sulfuric Acid Catalysts: 1820595-88-7 Solvents: Methanol,Water; Rt -> 80 °C; 20 H,80 °C
  标题:Hydration Of Terminal Alkynes Catalyzed By A Water-Soluble Salen-Co (Iii) Complex
  作者:Wang,Shoufeng; Miao,Chengxia; Wang,Wenfang; Lei,Ziqiang; Sun,Wei
  参考文献:Cuihua Xuebao 日期:2014 卷标:35(10) 页码:1695-1700]
  
  772-38-3 = 943-27-1
  反应条件:1.1 Solvents: Trifluoroacetic Acid,Water; 2.5 H,Rt
  标题:Tfa-Mediated Alkyne Hydration Reaction To Synthesize Methyl Ketones
  作者:Chen,Z. W.; Luo,M. T.; Ye,D. N.
  参考文献:Asian Journal Of Chemistry 日期:2014 卷标:26(19) 页码:6528-6530]
  
  98-06-6 = 943-27-1
  反应条件:1.1 Reagents: Aluminum Chloride Solvents: Dichloromethane; 15 Min,0 °C; 2 H,0 °C
  标题:Regio-Specific Polyacetylenes Synthesized From Anionic Polymerizations Of Template Monomers
  作者:Zhang,Yang; Li,Jia; Li,Xiaohong; He,Junpo
  参考文献:Macromolecules (Washington 日期:2014 卷标:47(18) 页码:6260-6269]
  
  34386-42-0 = 943-27-1
  反应条件:1.1 Reagents: Sodium Bicarbonate,Sodium Bromide,Acrylic Acid-Ethylene Copolymer (Reaction Products With Aminotetramethylpiperidine Oxide And Octylamine) Solvents: Water; 5 Min,Rt; 1.56 H,0 °C
  标题:Electrooxidation Of Alcohols In An N-Oxyl-Immobilized Poly(Ethylene-Co-Acrylic Acid)/water Disperse System
  作者:Tanaka,Hideo; Kubota,Jun; Miyahara,Seiji; Kuroboshi,Manabu
  参考文献:Bulletin Of The Chemical Society Of Japan 日期:2005 卷标:78(9) 页码:1677-1684]
  
  772-38-3 = 943-27-1
  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]
  
  34386-42-0 = 943-27-1
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Molybdenum Oxide (Moo3) (Nanocomposite With Copper Complex) Solvents: Water; < 3 H,80 °C
  标题:Ultrasonic Assisted Fabrication Of First Moo3/copper Complex Bio-Nanocomposite Based On Sesbania Sesban Plant For Green Oxidation Of Alcohols
  作者:Naeimi,Atena; Honarmand,Moones; Sedri,Asmaa
  参考文献:Ultrasonics Sonochemistry 日期:2019 卷标:50 页码:331-338]
  
  34386-42-0 = 943-27-1
  反应条件:1.1 Reagents: Hydrogen Peroxide Catalysts: Molybdenum (Silica-Coated Iron Oxide/pva Supported); 7 H,80 °C
  标题:First Electrospun Immobilized Molybdenum Complex On Bio Iron Oxide Nanofiber For Green Oxidation Of Alcohols
  作者:Noghi,Sedighe Abbaspour; Naeimi,Atena; Hamidian,Hooshang
  参考文献:Polymer 日期:2018 卷标:149 页码:229-237]
  
  772-38-3 = 943-27-1
  反应条件:1.1 Reagents: Water Catalysts: Cycloheptatrienylium,Tetrafluoroborate(1-) (1:1) Solvents: 2,2,2-Trifluoroethanol; 48 H,Rt
  标题:Tropylium Ion Catalyzes Hydration Reactions Of Alkynes
  作者:Oss,Giulia; Ho,Junming; Nguyen,Thanh Vinh
  参考文献:European Journal Of Organic Chemistry 日期:2018 卷标:2018(29) 页码:3974-3981]
  
  772-38-3 = 943-27-1
  反应条件:1.1 Reagents: Water; 15 H,80 °C
  标题:Zeolite Y Nanoparticle Assemblies With High Activity In The Direct Hydration Of Terminal Alkynes
  作者:Xu,Shuling; Yun,Zhi; Feng,Yu; Tang,Ting; Fang,Zhongxue; Et Al
  参考文献:Rsc Advances 日期:2016 卷标:6(74) 页码:69822-69827]
  
  34386-42-0 = 943-27-1
  反应条件:1.1 Catalysts: Iridium(2+),Triaqua[(1,2,3,4,5-η)-1,2,3,4,5-Pentamethyl-2,4-Cyclopentadien-1-Yl...,Iridium(2+),Triaqua[(1,2,3,4,5-η)-1,2,3,4,5-Pentamethyl-2,4-Cyclopentadien-1-Yl... (Reaction Products With Bipyridinyl-Containing Silyl Polymers),2,2′-Bipyridine,6,6′-Bis(Methoxymethoxy)-5,5′-Bis(Triethoxysilyl)-,Polymer Wit... (Deprotected),2,2′-Bipyridine,6,6′-Bis(Methoxymethoxy)-5,5′-Bis(Triethoxysilyl)-,Polymer Wit... (Deprotected,Reaction Products With Iridium Complex) Solvents: Toluene; 6 H,130 °C
  标题:Solid Catalyst Used For Dehydrogenation Reaction Of Alcohols And Formic Acid,And Method For Producing A Carbonyl Compound And Hydrogen Using The Same
  参考文献:Japan]
  
  772-38-3 = 943-27-1
  反应条件:1.1 Reagents: Water Catalysts: Sodium Dodecyl Sulfate,Platinum(2+),Diaqua[n-[bis(2-Methoxyphenyl)Phosphino-Kp]-P,P-Bis(2-Methoxypheny... Solvents: Water; 20 H,80 °C
  标题:Platinum(Ii) Diphosphinamine Complexes For The Efficient Hydration Of Alkynes In Micellar Media
  作者:Trentin,Francesco; Chapman,Andrew M.; Scarso,Alessandro; Sgarbossa,Paolo; Michelin,Rino A.; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2012 卷标:354(6) 页码:1095-1104]
  
  34386-42-0 = 943-27-1
  反应条件:1.1 Catalysts: Benzene,Acridophosphino[2,1,10,9-Klmna]Acridophosphinium,6,12-Dihydro-6,6,12,12-Tetraph... Solvents: 2,2,2-Trifluoroethanol; 6 H,Rt
  标题:Selective Oxidation Of Benzylic Alcohols Via Synergistic Bisphosphonium And Cobalt Catalysis
  作者:Ding,Jia; Luo,Shuaishuai; Xu,Yuanli; An,Qing; Yang,Yi; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2023 卷标:59(27) 页码:4055-4058]
  
  772-38-3 = 943-27-1
  反应条件:1.1 Reagents: Silver Triflate Catalysts: 2378834-33-2 Solvents: Acetic Acid,Water; 10 H,100 °C
  标题:The Synthesis Of Methyl Triazole-4-Carboxylate Gold(I) Complex And Application On Allene Synthesis And Alkyne Hydration
  作者:Hu,Wenkang; Shan,Liang; Ma,Fudong; Zhang,Yilin; Yang,Yongchun; Et Al
  参考文献:Inorganic Chemistry Communications 日期:2019 卷标:109]
  
  772-38-3 = 943-27-1
  反应条件:1.1 Reagents: Oxygen Catalysts: Bis(Trifluoromethanesulfonyl)Imide,Cobaltate(3-),[[4,4′,4′′,4′′′-(21H,23H-Porphine-5,10,15,20-Tetrayl-Kn21,Kn22,Kn... Solvents: Methanol,Water; 12 H,80 °C
  标题:Hydration Of Terminal Alkynes Catalyzed By Water-Soluble Cobalt Porphyrin Complexes
  作者:Tachinami,Tadashi; Nishimura,Takuho; Ushimaru,Richiro; Noyori,Ryoji; Naka,Hiroshi
  参考文献:Journal Of The American Chemical Society 日期:2013 卷标:135(1) 页码:50-53]
  
  7364-19-4 = 943-27-1
  反应条件:1.1 Reagents: Pyridine,Tetrabutylammonium Tetrafluoroborate,Oxygen Catalysts: N-Hydroxyphthalimide Solvents: Acetonitrile,2,2,2-Trifluoroethanol; 7 H,25 - 30 °C
  标题:Selective Electrochemical Oxidation Of Aromatic Hydrocarbons And Preparation Of Mono/multi-Carbonyl Compounds
  作者:Li,Zhibin; Zhang,Yan; Li,Kuiliang; Zhou,Zhenghong; Zha,Zhenggen; Et Al
  参考文献:Science China: Chemistry 日期:2021 卷标:64(12) 页码:2134-2141]
  
  34386-42-0 = 943-27-1
  反应条件:1.1 Reagents: Oxygen Catalysts: Methanesulfinic Acid,1,1,1-Trifluoro-,Sodium Salt (1:1) Solvents: Acetonitrile; 12 H,1 Atm,25 °C
  标题:A Sodium Trifluoromethanesulfinate-Mediated Photocatalytic Strategy For Aerobic Oxidation Of Alcohols
  作者:Zhu,Xianjin; Liu,Can; Liu,Yong; Yang,Haijun; Fu,Hua
  参考文献:Chemical Communications (Cambridge 日期:2020 卷标:56(82) 页码:12443-12446

海关参考信息

• 2902600000-乙苯
  2902700000-异丙基苯
  2912110000-甲醛
  2912120000-乙醛
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