CAS: 924-50-5; Methyl-3,3-Dimethylacrylate

• 英文名称Methyl-3,3-Dimethylacrylate
• 中文名称3,3-二甲基丙烯酸甲酯
• IUPAC名称methyl 3-methylbut-2-enoate
• 其它别名3-甲基-2-丁烯酸甲酯; 33二甲基丙烯酸甲酯; Methyl 3-Methyl-2-Butenoate
• CAS编号924-50-5
• MFCD编号:MFCD00043940
• EINECS号:213-107-4
• FDA UNII编号:6YS6J4URT3
• 分子式:C6H10O2
• 分子量:114.14
• 产品CID: 1962146
• 产品分类有机原料→分子砌块→脂肪链类化合物

• 相似结构搜索
• InChIKey: FZIBCCGGICGWBP-UHFFFAOYSA-N
• InChI=1S/C6H10O2/c1-5(2)4-6(7)8-3/h4H,1-3H3…
• 计算化学: 氢键受体数2.0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-41°C
• 沸点136.5 °C at 760 mmHg
• 闪点32.1°C
• 密度0.9±0.1 g/cm3
• PSA:26.3
• LogP:1.1256
• 折射率1.420
• 蒸汽压7.4±0.2 mmHg at 25°C
• 溶解性Soluble In Chloroform. Insoluble In Water,
• 敏感性光敏感
• 外观形态无色至几乎无色透明液体
• 储存条件在惰性气体(氮气或氩气)下 2-8°C
• 产品应用该化合物是马泰尔综合温石棉酸的一个重要中间体.

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
  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
  严重眼刺激 类别2
• 警示词Warning(警告)
• 危险描述H226 |易燃液体和蒸气.
  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P210-P233-P240-P241-P242-P243-P280-P370+P378-P501
• 危险等级3
• UN编号3272.0
• 危险品标志Xi
• 风险等级Irritant
• 包装等级Ⅲ
• 安全声明16-29-33
• 危险类别码10
• WGK Germany1

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 Methyl 3-Methyl-2-Butenoate 主要起始原料 Methanol And 3,3-Dimethylacrylic Acid
• 541-47-9 = 924-50-5
  反应条件:1.1 Catalysts: Pyrrolidinium,1-Methyl-2-Oxo-1-(3-Sulfopropyl)-,Sulfate (1:1) Solvents: Methanol; Rt -> 75 °C; 4 H,75 °C; 18 H,65 - 85 °C; 85 °C -> 70 °C; 70 °C -> 40 °C; 40 °C -> 100 °C; 2 H,100 °C; 100 °C -> 70 °C; 70 °C -> 35 °C; 1 H,35 °C
  标题:Device And Method For Preparing Methyl 3,3-Dimethacrylate
  参考文献:China]
  
  541-47-9 = 924-50-5
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Water
  标题:Biosynthesis And Synthesis Of Biologically Active Anthroquinine Natural Products - Total Synthesis Of (S)-Epicufolin And Kwanzoquinone C
  作者:Gericke,Kersten Matthias
  参考文献:2006]
  
  541-47-9 = 924-50-5
  反应条件:1.1 Catalysts: Sulfuric Acid; 16 H,Reflux
  标题:Novel Strategies For The Synthesis Of Anthrapyran Antibiotics: Discovery Of A New Antitumor Agent And Total Synthesis Of (S)-Espicufolin
  作者:Tietze,Lutz F.; Gericke,Kersten M.; Singidi,Ramakrishna Reddy; Schuberth,Ingrid
  参考文献:Organic & Biomolecular Chemistry 日期:2007 卷标:5(8) 页码:1191-1200]
  
  541-47-9 = 924-50-5
  反应条件:1.1 Catalysts: Sulfuric Acid; 16 H,0 °C -> 70 °C
  标题:Dipeptide Type Power Sweetener And Its Synthetic Method
  参考文献:China]
  
  3315-60-4 + 85526-21-2 = 924-50-5
  反应条件:1.1 Solvents: Diethyl Ether
  标题:Rearrangement Of α,β-Dibromoketones
  作者:Wagner,R. B.
  参考文献:Journal Of The American Chemical Society 日期:1949 卷标:71 页码:3214-18]
  
  101080-10-8 = 924-50-5 [标题:Reaction Conditions
  标题:Aliphatic Diazo Compounds,Nitrones,And Structurally Analogous Compounds. Systems Capable Of Undergoing 1,3-Additions
  作者:Smith,Lee I.
  参考文献:Chem. Rev. 日期:1938 卷标:23 页码:193-285]
  
  3958-63-2 = 924-50-5
  反应条件:1.1 Solvents: Dimethylformamide
  标题:New Carbon-Carbon Bond Formation Reactions Using Bis(Acylmethyl)- And Bis[(Alkoxycarbonyl)Methyl]Tellurium Dichlorides
  作者:Tamura,Rui; Shimizu,Hiroshi; Ono,Noboru; Azuma,Nagao; Suzuki,Hitomi
  参考文献:Organometallics 日期:1992 卷标:11(2) 页码:954-8]
  
  541-47-9 = 924-50-5
  反应条件:1.1 Catalysts: Sulfuric Acid
  标题:Antifungal Activity Of 4-Methyl-6-Alkyl-2H-Pyran-2-Ones
  作者:Chattapadhyay,Tarun Kumar; Dureja,Prem
  参考文献:Journal Of Agricultural And Food Chemistry 日期:2006 卷标:54(6) 页码:2129-2133]
  
  77086-38-5 = 924-50-5
  反应条件:1.1 Catalysts: 1621468-45-8 Solvents: Acetonitrile; 30 Min,Rt1.2 72 H,0 - 5 °C1.3 Reagents: Hydrochloric Acid Solvents: Water; 3 H,Rt
  标题:Mukaiyama Aldol Reactions Catalyzed By A Trimeric Organo Aluminum(Iii) Alkoxide
  作者:Kim,So Han; Yoon,Sungwoo; Kim,Youngjo; Verkade,John G.
  参考文献:Phosphorus 日期:2014 卷标:189(7-8) 页码:1193-1206]
  
  541-47-9 = 924-50-5
  反应条件:1.1 Reagents: Phosphorus Oxychloride; 10 Min,Reflux; 4 - 5 H,Reflux
  标题:The Synthesis Of 2,2-Dimethyl Cyclopropanecarboxylate By Zn (Cu) -Diiodomethane
  作者:Zhang,Yan; Shi,Xiao-Hua; Zhan,Zi-Li; Zhou,Cai-Rong
  参考文献:Jingxi Yu Zhuanyong Huaxuepin 日期:2010 卷标:18(6) 页码:36-38]
  
  541-47-9 = 924-50-5
  反应条件:1.1 Catalysts: Phosphorus Oxychloride Solvents: Methanol; Rt -> Reflux; 30 Min,67 °C; 4.5 H,Reflux
  标题:New Synthetic Method For Senecioic Acid Esters
  作者:Wang,Ru-Li
  参考文献:Jingxi Yu Zhuanyong Huaxuepin 日期:2005 卷标:13(12) 页码:10-11]
  
  15681-48-8 = 924-50-5 [标题:Reaction Conditions
  标题:Stereoselective Synthesis Of β-Substituted α,β-Unsaturated Esters By Dialkylcuprate Coupling To The Enol Phosphate Of β-Keto Esters
  作者:Sum,Fuk-Wah; Weiler,Larry
  参考文献:Canadian Journal Of Chemistry 日期:1979 卷标:57(12) 页码:1431-41]
  
  5927-18-4 = 924-50-5
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Tetrahydrofuran; 30 Min,0 °C1.2 0 °C; 0 °C -> Rt; 24 H,Rt
  标题:Enantioselective Rh-Catalyzed Hydrogenation Of 3-Aryl-4-Phosphonobutenoates With A P-Stereogenic Bophoz-Type Ligand
  作者:Duan,Zheng-Chao; Hu,Xiang-Ping; Zhang,Cheng; Zheng,Zhuo
  参考文献:Journal Of Organic Chemistry 日期:2010 卷标:75(23) 页码:8319-8321]
  
  = 924-50-5
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Methanol
  标题:Synthesis Of β,β-Dimethylacrylic Acid And Its Methyl And Ethyl Esters
  作者:Iordache,Florin; Badica,Sonia; Ionescu,Alina; Badea,Florin
  参考文献:Revistade Chimie (Bucharest 日期:1979 卷标:30(7) 页码:629-32]
  
  541-47-9 = 924-50-5
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Methanol; 5 H,Rt -> Reflux
  标题:Synthetic Method Of Ciclopirox Olamine With High Yield
  参考文献:China]
  
  541-47-9 + 2525-16-8 = 924-50-5 [标题:Reaction Conditions
  标题:A Convenient Preparation Of Methyl Esters From Carboxylic Acids
  作者:Mohacsi,Erno
  参考文献:Synthetic Communications 日期:1982 卷标:12(6) 页码:453-6]
  
  541-47-9 = 924-50-5
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Methanol,Water
  标题:The Diastereoselective Alkylation Of β-Silyl Enolates
  作者:Waterson,David
  参考文献:1984]
  
  541-47-9 = 924-50-5
  反应条件:1.1 Catalysts: Cupric Chloride Solvents: Methanol
  标题:Copper Ion-Promoted Esterifications
  作者:Ho,Tse Lok
  参考文献:Synthetic Communications 日期:1989 卷标:19(16) 页码:2897-8]
  
  = 924-50-5
  反应条件:1.1 Reagents: Butyllithium Solvents: Hexane
  标题:Wittig Reactions Of Ylide Anions Derived From Stabilized Ylides
  作者:Mckenna,Eugene G.; Walker,Brian J.
  参考文献:Journal Of The Chemical Society 日期:1989 卷标:(9) 页码:568-9]
  
  3315-60-4 + 1518-06-5 = 924-50-5
  反应条件:1.1 Solvents: Diethyl Ether
  标题:The Favorski Rearrangement Of Haloketones
  作者:Kende,A. S.
  参考文献:Org. Reactions (Arthur C. Cope 日期:1960 卷标:11 页码:261-316

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2912110000-甲醛
  2912120000-乙醛
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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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