CAS: 943-89-5; (E)-3-(4-Methoxyphenyl)Acrylic Acid

• 英文名称(E)-3-(4-Methoxyphenyl)Acrylic Acid
• 中文名称(E)-3-(4-甲氧基苯基)丙烯酸
• 其它别名(E)-3-(4-甲氧基苯基)丙烯酸; 反式4甲氧基肉桂酸
• CAS编号943-89-5
• MFCD编号:MFCD00004398
• EINECS号:213-405-4
• 分子式:C10H10O3
• 分子量:178.18
• 产品CID: 1994320
• 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: AFDXODALSZRGIH-QPJJXVBHSA-N
• InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数3.0

物理性质

• 熔点173.5 °C
• 沸点342.6±17.0 °C at 760 mmHg
• 闪点138.6±14.4 °C
• 密度1.2±0.1 g/cm3
• pKa:4.60±0.10(预测)
• PSA:46.53
• LogP:1.793
• 折射率1.591
• 蒸汽压0.0±0.8 mmHg at 25°C
• 溶解性Soluble In Ethanol, Ethyl Acetate And Other Organic Solvents.
• 外观形态白色至几乎白色粉末至晶体
• 储存条件置于阴暗处,密封, 常温干燥保存

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 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2
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 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-P280-P302+P352
• 危险等级IRRITANT
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明26-37/39
• 危险类别码36/37/38
• 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 4-Methoxycinnamic Acid 主要起始原料 Malonic Acid And P-Anisaldehyde
• 7400-08-0 = 943-89-5
  反应条件:1.1 Reagents: Tetrabutylammonium Hydroxide Solvents: 1,2-Dichloroethane; 0.5 H,28 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 7,28 °C
  标题:Quantitative Methylation Of Lignin Monomers Using Tetrabutylammonium Hydroxide And Mei And Applications In Organic Synthesis
  作者:Zuo,Yajie; Zhu,Siying; Liu,Yi; Zhao,Jingjing; Zhang,Shiyi; Et Al
  参考文献:Acs Omega 日期:2023 卷标:8(7) 页码:7057-7062]
  
  123-11-5 + 57-60-3 = 943-89-5
  反应条件:1.1 Solvents: Water; 16 H,Ph 6.51.2 Reagents: Hydrogen Peroxide; 30 Min,Rt1.3 Ph 4
  标题:A Type 1 Aldolase,Nahe,Catalyzes A Stereoselective Nitro-Michael Reaction: Synthesis Of β-Aryl-γ-Nitrobutyric Acids
  作者:Fansher,Douglas J.; Palmer,David R. J.
  参考文献:Angewandte Chemie 日期:2023 卷标:62(6)]
  
  24393-56-4 = 943-89-5
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol,Water; 45 H,23 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; 23 °C
  标题:Chromium Photocatalysis: Accessing Structural Complements To Diels-Alder Adducts With Electron-Deficient Dienophiles
  作者:Stevenson,Susan M.; Higgins,Robert F.; Shores,Matthew P.; Ferreira,Eric M.
  参考文献:Chemical Science 日期:2017 卷标:8(1) 页码:654-660]
  
  141-82-2 + 123-11-5 = 943-89-5
  反应条件:1.1 Reagents: Pyridine Solvents: Dimethylformamide; 3 - 5 H,90 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 1
  标题:Design,Synthesis And Antibacterial Activity Of Cinnamaldehyde Derivatives As Inhibitors Of The Bacterial Cell Division Protein Ftsz
  作者:Li,Xin; Sheng,Juzheng; Huang,Guihua; Ma,Ruixin; Yin,Fengxin; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2015 卷标:97 页码:32-41]
  
  141-82-2 + 123-11-5 = 943-89-5
  反应条件:1.1 Reagents: Pyridine Solvents: Dimethylformamide; 3 - 5 H,90 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 1
  标题:Phenylacrylamides As Novel Ftsz-Targeted Potential Antimicrobials
  作者:Li,Xin; Sheng,Juzheng; Song,Di; Guo,Liwei; Ma,Shutao
  参考文献:Letters In Drug Design & Discovery 日期:2015 卷标:12(3) 页码:234-240]
  
  696-62-8 = 943-89-5
  反应条件:1.1 Reagents: Tributylamine Catalysts: Palladium Solvents: Dimethylformamide; 7 H,90 °C; 90 °C -> Rt1.2 Reagents: Sodium Carbonate Solvents: Water; 20 Min,Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 1 - 2,Rt
  标题:Preparation Of Pd Nanoparticles Deposited On A Polyaniline/multiwall Carbon Nanotubes Nanocomposite And Their Application In The Heck Reaction
  作者:Nie,Guangrui; Zhang,Lei; Cui,Yuanchen
  参考文献:Reaction Kinetics 日期:2013 卷标:108(1) 页码:193-204]
  
  = 943-89-5
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: (Sp-4-4)-Chloro[1,3-Dihydro-1,3-Bis(2,4,6-Trimethylphenyl)-2H-Imidazol-2-Ylidene... Solvents: N-Methyl-2-Pyrrolidone; 18 H,140 °C; Cooled
  标题:N-Heterocycle Carbene (Nhc)-Ligated Cyclopalladated N,N-Dimethylbenzylamine: A Highly Active,Practical And Versatile Catalyst For The Heck-Mizoroki Reaction
  作者:Peh,Guang-Rong; Kantchev,Eric Assen B.; Zhang,Chi; Ying,Jackie Y.
  参考文献:Organic & Biomolecular Chemistry 日期:2009 卷标:7(10) 页码:2110-2119]
  
  27570-08-7 = 943-89-5
  反应条件:1.1 Reagents: Triethylamine Catalysts: Dichlorobis(Triphenylphosphine)Palladium Solvents: Water,1-Butyl-3-Methylimidazolium Hexafluorophosphate; 10 H,20 Bar,100 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Stereoselective Hydroxycarbonylation Of Vinyl Bromides To α,β-Unsaturated Carboxylic Acids In The Ionic Liquid [bmim]Pf6
  作者:Zhao,Xiaodan; Alper,Howard; Yu,Zhengkun
  参考文献:Journal Of Organic Chemistry 日期:2006 卷标:71(10) 页码:3988-3990]
  
  123-11-5 + 3095-95-2 = 943-89-5
  反应条件:1.1 Reagents: N,N,N′,N′-Tetramethylethylenediamine,1,8-Diazabicyclo[5.4.0]Undec-7-Ene,Zinc Triflate Solvents: Tetrahydrofuran; 12 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Mild Zinc-Promoted Horner-Wadsworth-Emmons Reactions Of Diprotic Phosphonate Reagents
  作者:Schauer,Douglas J.; Helquist,Paul
  参考文献:Synthesis 日期:2006 卷标:(21) 页码:3654-3660]
  
  24680-50-0 = 943-89-5
  反应条件:1.1 Reagents: 2-Methyl-2-Butene,Monosodium Phosphate,Sodium Chlorite Solvents: Tert-Butanol,Water; 1 H,0 °C
  标题:Oxidation Of Primary Alcohols And Aldehydes To Carboxylic Acids With 1-Hydroxycyclohexyl Phenyl Ketone
  作者:Lu,Yi; Tan,Wen-Yun; Ding,Yuzhen; Chen,Wen; Zhang,Hongbin
  参考文献:Journal Of Organic Chemistry 日期:2023 卷标:88(13) 页码:8114-8122]
  
  = 943-89-5
  反应条件:1.1 Reagents: Sodium Dodecyl Sulfate,Tripotassium Phosphate Catalysts: Graphene (Reduced Oxide) Solvents: Water; 6 H,100 °C
  标题:Pyrene Functionalized Highly Reduced Graphene Oxide-Palladium Nanocomposite: A Novel Catalyst For The Mizoroki-Heck Reaction In Water
  作者:Khan,Mujeeb; Ashraf,Muhammad; Shaik,Mohammed Rafi; Adil,Syed Farooq; Islam,Mohammad Shahidul; Et Al
  参考文献:Frontiers In Chemistry (Lausanne 日期:2022 卷标:10]
  
  696-62-8 = 943-89-5
  反应条件:1.1 Reagents: Tributylamine Catalysts: Triethylenetetramine,Tetrabutylammonium Chloride,Palladium Solvents: Dimethylformamide; 12 H,120 °C1.2 Reagents: Sodium Carbonate Solvents: Water; 10 Min,Cooled
  标题:Synthesis Of Lignin-Amine Supported Palladium Catalysts For Heck Reaction
  作者:Wu,Yufeng; Zhang,Lei; Cui,Yuanchen; Liu,Jiangsheng; Yang,Shuai
  参考文献:Shiyou Huagong 日期:2009 卷标:38(7) 页码:733-738]
  
  696-62-8 = 943-89-5
  反应条件:1.1 Reagents: Tributylamine Catalysts: Palladium (Complexes With 3-Cyanopropyltriethoxysilane Homopolymer),Silica,Butanenitrile,4-(Triethoxysilyl)-,Homopolymer (Palladium Complexes) Solvents: Dimethylformamide; 10.5 H,100 °C
  标题:Organic Silica Ligated To Palladium(0) Complex: A Highly Active And Stereoselective Catalyst For Heck Reaction
  作者:Zhao,S. F.; Zhou,R. X.; Yang,Y. F.; Zheng,X. M.
  参考文献:Indian Journal Of Chemistry 日期:2002 卷标:(11) 页码:2274-2276]
  
  141-82-2 + 123-11-5 = 943-89-5
  反应条件:1.1 Reagents: Pyridine,Piperidine Solvents: Pyridine,Piperidine
  标题:Synthesis And Experimental Ionization Energies Of Certain (E)-3-Arylpropenoic Acids And Their Methyl Esters
  作者:Peterson,John R.; Russell,Morley E.; Surjasasmita,Irawan B.
  参考文献:Journal Of Chemical And Engineering Data 日期:1988 卷标:33(4) 页码:534-7]
  
  696-62-8 = 943-89-5
  反应条件:1.1 Reagents: Potassium Carbonate,Tetrabutylammonium Bromide Catalysts: Palladium,Cellulose,Ester With N,N′-1,2-Ethanediylbis[n-(Carboxymethyl)Glycine] (Palladium Complexes) Solvents: Dimethylformamide; 2 H,110 °C
  标题:Pd Immobilized On Edta-Modified Cellulose: Synthesis,Characterization,And Catalytic Application In Inter- And Intramolecular Heck Reactions And Larock Reactions
  作者:Xu,Zhian; Xu,Jinxi; Zhou,Yuping; Huang,Yuling; Li,Yiqun
  参考文献:Research On Chemical Intermediates 日期:2022 卷标:48(8) 页码:3475-3496]
  
  141-82-2 + 123-11-5 = 943-89-5
  反应条件:1.1 Catalysts: Piperidine Solvents: Pyridine; 4 H,95 °C; 95 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; 0 °C
  标题:Synthesis And Spectroscopic Analysis Of Piperine- And Piperlongumine-Inspired Natural Product Scaffolds And Their Molecular Docking With Il-1β And Nf-Kb Proteins
  作者:Zazeri,Gabriel; Povinelli,Ana Paula R.; Le Duff,Cecile S.; Tang,Bridget; Cornelio,Marinonio L.; Et Al
  参考文献:Molecules 日期:2020 卷标:25(12)]
  
  867-13-0 + 123-11-5 = 943-89-5
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dichloromethane; 0 °C; 0 °C -> Rt1.2 Reagents: Sodium Hydroxide Solvents: Methanol,Dichloromethane; 2 H,Rt
  标题:Process For Preparation Of Cinnamic Acid And Derivatives Thereof
  参考文献:China]
  
  696-62-8 = 943-89-5
  反应条件:1.1 Reagents: Tripropylamine Catalysts: Triphenylphosphine,Palladium Diacetate,1H-Imidazolium,3-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heneicosaflu... Solvents: 8-(1,3-Dimethylbutoxy)-1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorooctane; 2 H,120 °C
  标题:Mizoroki-Heck Arylation Of α,β-Unsaturated Acids With A Hybrid Fluorous Ether,F-626: Facile Filtrative Separation Of Products And Efficient Recycling Of A Reaction Medium Containing A Catalyst
  作者:Fukuyama,Takahide; Arai,Masashi; Matsubara,Hiroshi; Ryu,Ilhyong
  参考文献:Journal Of Organic Chemistry 日期:2004 卷标:69(23) 页码:8105-8107]
  
  141-82-2 + 123-11-5 = 943-89-5
  反应条件:1.1 Catalysts: Lithium Chloride; 6 Min
  标题:Microwave-Assisted Solvent-Free Synthesis Of Trans-Cinnamic Acids Using Lithium Chloride As Catalyst
  作者:Mogilaiah,K.; Reddy,G. Randheer
  参考文献:Synthetic Communications 日期:2004 卷标:34(2) 页码:205-210]
  
  141-82-2 + 123-11-5 = 943-89-5
  反应条件:1.1 Reagents: Ammonium Acetate1.2 Reagents: Water
  标题:Non Solvent Reaction: Ammonium Acetate Catalyzed Highly Convenient Preparation Of Trans-Cinnamic Acids
  作者:Kumar,H. M. Sampath; Subbareddy,B. V.; Anjaneyulu,S.; Yadav,J. S.
  参考文献:Synthetic Communications 日期:1998 卷标:28(20) 页码:3811-3815

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902300000-甲苯
  2902500000-苯乙烯
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