CAS: 829-20-9; 1-(2,4-Dimethoxyphenyl)Ethanone

• 英文名称1-(2,4-Dimethoxyphenyl)Ethanone
• 中文名称2',4'-二甲氧基苯乙酮
• IUPAC名称1-(2,4-dimethoxyphenyl)ethan-1-one
• 其它别名2,4-二甲氧基苯乙酮; 24二甲氧基苯乙酮; 2',4'-Dimethoxyacetophenone
• CAS编号829-20-9
• MFCD编号:MFCD00008727
• EINECS号:212-587-2
• FDA UNII编号:5ASM4Y5MBX
• 分子式:C10H12O3
• 分子量:180.2
• 产品CID: 1819060
• 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
• 产品信息参考;;;;
• InChIKey: VQTDPCRSXHFMOL-UHFFFAOYSA-N
• InChI=1S/C10H12O3/c1-7(11)9-5-4-8(12-2)6-10(9)13-3/h4-6H,1-3H3…
• 计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数3.0

物理性质

• 熔点37-40°C
• 沸点288°C at 760 mmHg
• 闪点127.1±8.8 °C
• 密度1.1±0.1 g/cm3
• PSA:35.53
• LogP:1.9064
• 折射率1.499
• 蒸汽压0.0±0.6 mmHg at 25°C
• 溶解性Soluble In Dichloromethane, Ethyl Acetate, Methanol
• 敏感性光敏感
• 外观形态白色至类白色结晶粉末
• 储存条件置于阴暗处,密封, 常温干燥保存
• 产品应用该化合物用作有机中间体.
• 性质描述该品为黄色结晶.

MSDS等安全信息

• GHS符号GHS07
• 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2A
• 警示词Warning
• 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.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-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24/25
• WGK Germany3

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 2,4-Dimethoxyacetophenone 主要起始原料 Acetovanillone
• 151-10-0 = 829-20-9
  反应条件:1.1 4 H,393 K
  标题:Synthesis Of Industrially Important Aromatic And Heterocyclic Ketones Using Hierarchical Zsm-5 And Beta Zeolites
  作者:Kore,Rajkumar; Et Al
  参考文献:Applied Catalysis 日期:2015 卷标:493 页码:129-141]
  
  151-10-0 = 829-20-9
  反应条件:1.1 Catalysts: Benzenesulfonic Acid,4-Methyl-,Indium(3+) Salt (3:1) Solvents: Nitromethane; 2 H,Reflux
  标题:Catalysis Of The Acylation Of Aromatic Derivatives By Metallic Tosylates
  作者:Morizur,Vincent; Et Al
  参考文献:Tetrahedron 日期:2015 卷标:71(38) 页码:6813-6817]
  
  89-84-9 = 829-20-9
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetone
  标题:Synthesis Of Acyclic And Cyclic Phosphonates Based On Substituted 2-Hydroxybenzylic Alcohols
  作者:Terekhova,N. V.; Et Al
  参考文献:Russian Chemical Bulletin 日期:2020 卷标:69(11) 页码:2147-2152]
  
  829-19-6 = 829-20-9
  反应条件:1.1 Reagents: Acetone,Sodium Tert-Butoxide Catalysts: Stereoisomer Of [1,8-Bis[bis(1-Methylethyl)Phosphino-Kp]-9,10[1′,2′]-Benzenoanth... Solvents: Acetone; 56 °C; 6 H,56 °C
  标题:Cyclometalated Phosphine-Based Ir(Iii) Pincer Complex As A Catalyst For Oppenauer-Type Oxidation Of Alcohols
  作者:Levy,Roy; Et Al
  参考文献:Catalysis Communications 日期:2009 卷标:11(4) 页码:298-301]
  
  829-19-6 = 829-20-9
  反应条件:1.1 Reagents: Oxygen Catalysts: Palladium (Solid-Supported) Solvents: Toluene; 5 H,110 °C
  标题:Solid-Supported Pd(0): An Efficient Heterogeneous Catalyst For Aerobic Oxidation Of Benzyl Alcohols Into Aldehydes And Ketones
  作者:Bandna; Et Al
  参考文献:Tetrahedron Letters 日期:2011 卷标:52(38) 页码:4954-4956]
  
  151-10-0 = 829-20-9
  反应条件:1.1 Reagents: Water Catalysts: Trifluoromethanesulfonic Acid Solvents: Water
  标题:The Chemistry Of Nitrilium Salts. Part 1. Acylation Of Phenols And Phenol Ethers With Nitriles And Trifluoromethanesulfonic Acid
  作者:Booth,Brian L.; Et Al
  参考文献:Journal Of The Chemical Society 日期:1980 卷标:(12) 页码:2894-900]
  
  89-84-9 = 829-20-9
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetone; Rt; 44 H,Reflux
  标题:Peptoid Helix Displaying Flavone And Porphyrin: Synthesis And Intramolecular Energy Transfer
  作者:Yang,Woojin; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2020 卷标:85(3) 页码:1392-1400]
  
  89-84-9 = 829-20-9
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 16 H,Rt
  标题:Kolbe-Schmitt Type Reaction Under Ambient Conditions Mediated By An Organic Base
  作者:Sadamitsu,Yuta; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2019 卷标:55(66) 页码:9837-9840]
  
  18986-10-2 = 829-20-9
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetonitrile
  标题:Facile Transformation Of N,N-Dimethylhydrazones And Tosylhydrazones To Ketones With Dimethyl Sulfate And Potassium Carbonate
  作者:Kamal,Ahmed; Et Al
  参考文献:Synthetic Communications 日期:1998 卷标:28(21) 页码:3927-3931]
  
  = 829-20-9
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetonitrile
  标题:Facile Transformation Of N,N-Dimethylhydrazones And Tosylhydrazones To Ketones With Dimethyl Sulfate And Potassium Carbonate
  作者:Kamal,Ahmed; Et Al
  参考文献:Synthetic Communications 日期:1998 卷标:28(21) 页码:3927-3931]
  
  917-54-4 + 91-52-1 = 829-20-9
  反应条件:1.1 Solvents: Diethyl Ether,Tetrahydrofuran; 1 H,-78 °C1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:A Novel Synthesis Of Flavones From 2-Methoxybenzoic Acids
  作者:Lee,Jae In; Et Al
  参考文献:Bulletin Of The Korean Chemical Society 日期:2005 卷标:26(9) 页码:1461-1463]
  
  23997-80-0 = 829-20-9
  反应条件:1.1 Reagents: N,N-Dibromobenzenesulfonamide Solvents: Carbon Tetrachloride; 30 Min,Rt
  标题:N,N-Dibromobenzenesulfonamide As A Reagent For Oxidative Cleavage Of Oximes To Their Parent Carbonyl Compounds Under Non-Aqueous And Aprotic Conditions
  作者:Tajbakhsh,Mahmood; Et Al
  参考文献:Journal Of Chemical Research 日期:2004 卷标:(2) 页码:141-142]
  
  21963-22-4 + 151-10-0 + 37181-39-8 = 829-20-9
  反应条件:1.1 -2.1 Catalysts: Sodium Bicarbonate
  标题:The Chemistry Of Nitrilium Salts. Part 3. The Importance Of Triazinium Salts In Houben-Hoesch Reactions Catalyzed By Trifluoromethanesulfonic Acid
  作者:Amer,Muhannad I.; Et Al
  参考文献:Journal Of The Chemical Society 日期:1983 卷标:(5) 页码:1075-81]
  
  688016-65-1 = 829-20-9
  反应条件:1.1 Reagents: Oxygen Catalysts: Montmorillonite ((Al1.33-1.67Mg0.33-0.67)(Ca0-1Na0-1)0.33Si4(Oh)2O10.Xh2O); Rt; 12 H,Rt
  标题:A Facile Deprotection Of N,N-Dimethylhydrazones Using Montmorillonite Ksf As Catalyst
  作者:Hosseinzadeh,Rahmam; Et Al
  参考文献:Chemistry: An Indian Journal 日期:2003 卷标:1(1) 页码:53-56]
  
  151-10-0 = 829-20-9
  反应条件:1.1 Catalysts: 4′-(4-Hydroxyphenyl)-2,2′:6′,2′′-Terpyridine (Reaction Products With Poly{[(Hydroxyphenyl)Methylene]-Methylphosphoro...),Scandium Triflate,Phosphorodichloridothioic Hydrazide,2-[(4-Hydroxyphenyl)Methylene]-1-Methyl-,H... (Terpyridinylphenyl-Terminated) Solvents: Acetonitrile; 15 Min,Rt1.2 30 Min,Heated
  标题:Efficient And Recyclable Rare Earth-Based Catalysts For Friedel-Crafts Acylations Under Microwave Heating: Dendrimers Show The Way
  作者:Perrier,Arnaud; Et Al
  参考文献:Green Chemistry 日期:2013 卷标:15(8) 页码:2075-2080]
  
  151-10-0 = 829-20-9
  反应条件:1.1 Catalysts: Benzenemethanaminium,N,N,N-Triethyl-,μ-Chlorodecachlorodiantimonate(1-) Solvents: Nitromethane; 20 Min,Reflux
  标题:Friedel-Crafts Acylation Reactions Using Catalytic Sbcl5-Teba Complex As An Efficient Catalyst
  作者:Huang,An Ping; Et Al
  参考文献:Chinese Chemical Letters 日期:2004 卷标:15(12) 页码:1415-1418]
  
  = 829-20-9
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 10 Min,Ph 10,Reflux
  标题:Reactions Of Nitrilium Salts With Indole And Pyrrole And Their Derivatives In The Synthesis Of Imines,Ketones And Secondary Amines
  作者:Giles,Robert G.; Et Al
  参考文献:Tetrahedron 日期:2015 卷标:71(39) 页码:7367-7385]
  
  89-84-9 = 829-20-9
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Acetone; 12 H,65 °C
  标题:Synthesis Of 2',4'-Dimethoxychalcone Derivatives And Evaluation Of Their Antitumor Activities Against Non-Small Cell Lung Cancer
  作者:Choi,Myeong A.; Et Al
  参考文献:Yakhak Hoechi 日期:2016 卷标:60(3) 页码:135-140]
  
  829-19-6 = 829-20-9
  反应条件:1.1 Reagents: Tert-Butyl Hydroperoxide Catalysts: Eosin Solvents: Acetonitrile,Decane; 24 H,25 °C
  标题:Visible Light Mediated Chemo-Selective Oxidation Of Benzylic Alcohols
  作者:Devari,Shekaraiah; Et Al
  参考文献:Tetrahedron Letters 日期:2016 卷标:57(30) 页码:3294-3297]
  
  917-54-4 + 91-52-1 = 829-20-9
  反应条件:1.1 Solvents: Tetrahydrofuran; 0.5 - 2 H,-78 °C1.2 Reagents: Water,Hydrogen Ion
  标题:A New Route For The Synthesis Of Flavanones From 2-Methoxybenzoic Acids
  作者:Lee,Jae In; Et Al
  参考文献:Bulletin Of The Korean Chemical Society 日期:2005 卷标:26(12) 页码:2044-2046]
  
  23997-80-0 = 829-20-9
  反应条件:1.1 Reagents: N,N-Dibromobenzenesulfonamide Solvents: Carbon Tetrachloride; 30 Min,20 - 25 °C
  标题:Deoximation With N-Bromosulfonamides
  作者:Tajbaksh,M.; Et Al
  参考文献:Russian Journal Of Organic Chemistry (Translation Of Zhurnal Organicheskoi Khimii) 日期:2003 卷标:39(7) 页码:1053-1054]
  
  150-78-7 = 829-20-9
  反应条件:1.1 Reagents: Aluminum Chloride Solvents: Dichloromethane; 4 H,Rt
  标题:Synthesis Of 2,5-Dimethoxyethylbenzene
  作者:Chen,Guan-Fan; Et Al
  参考文献:Hecheng Huaxue 日期:2003 卷标:11(5) 页码:443-444]
  
  151-10-0 + 38447-66-4 = 829-20-9
  反应条件:1.1 Catalysts: 9,10-Dimethylanthracene Solvents: Acetonitrile; 15 - 20 H
  标题:P-Selective (Sp2)-C-H Functionalization For An Acylation/alkylation Reaction Using Organic Photoredox Catalysis
  作者:Pandey,Ganesh; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2017 卷标:53(91) 页码:12337-12340]
  
  1124-53-4 + 151-10-0 = 829-20-9
  反应条件:1.1 Reagents: Trifluoromethanesulfonic Anhydride,2-Fluoropyridine Solvents: Dichloromethane; -78 °C; 10 Min,0 °C1.2 0 °C; 0 °C -> 40 °C; 1 H,40 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; Rt -> Reflux; 2 H,Reflux; Reflux -> Rt
  标题:Metal-Free Intermolecular Coupling Of Arenes With Secondary Amides: Chemoselective Synthesis Of Aromatic Ketimines And Ketones,And N-Deacylation Of Secondary Amides
  作者:Huang,Pei-Qiang; Et Al
  参考文献:Journal Of Organic Chemistry 日期:2016 卷标:81(19) 页码:9020-9027]
  
  21963-22-4 + 14874-70-5 + 151-10-0 = 829-20-9
  反应条件:1.1 Solvents: Dichloromethane; 48 H,Reflux1.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 7,Rt
  标题:Reactions Of Nitrilium Salts With Indole And Pyrrole And Their Derivatives In The Synthesis Of Imines,Ketones And Secondary Amines
  作者:Giles,Robert G.; Et Al
  参考文献:Tetrahedron 日期:2015 卷标:71(39) 页码:7367-7385]
  
  552-41-0 = 829-20-9
  反应条件:1.1 Solvents: Diethyl Ether,Methanol
  标题:Action Of Diazomethane On Hydroxy Compounds And Of Diazomethane Derivatives On Phenanthraquinone
  作者:Schonberg,Alexander; Et Al
  参考文献:Journal Of The Chemical Society 日期:1946 卷标:746 页码:746-8]
  
  21963-22-4 + 151-10-0 + 37181-39-8 = 829-20-9 [标题:Reaction Conditions
  标题:The Synthesis And Some Reactions Of N-Methylnitrilium Trifluoromethanesulfonate Salts
  作者:Booth,Brian L.; Et Al
  参考文献:Journal Of The Chemical Society 日期:1980 卷标:(23) 页码:1151-3]
  
  91-52-1 + 88-12-0 = 829-20-9
  反应条件:1.1 Reagents: Quinone Catalysts: Palladium Trifluoroacetate,6-Methyl-2,2′-Bipyridine Solvents: Dimethylformamide; 24 H,Rt -> 120 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 2 H,Rt
  标题:Palladium(Ii)-Catalyzed Decarboxylative Heck Arylations Of Acyclic Electron-Rich Olefins With Internal Selectivity
  作者:Fardost,Ashkan; Et Al
  参考文献:Advanced Synthesis & Catalysis 日期:2014 卷标:356(4) 页码:870-878]
  
  1026990-71-5 + 89-84-9 = 829-20-9
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethyl Sulfoxide; 3 H,Rt -> 80 °C
  标题:A Mechanistic Analysis Of Trimethylanilinium Salt Degradation: Implications For Methylation And Cross-Coupling Applications
  作者:Washington,Jack B.; Et Al
  参考文献:Chemrxiv 日期:2021 卷标:1 页码:1-14

海关参考信息

• 2902600000-乙苯
  2905110000-甲醇
  2907221000-对苯二酚
  2912110000-甲醛
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