CAS: 830-09-1; 3-(4-Methoxyphenyl)Acrylic Acid

• 英文名称3-(4-Methoxyphenyl)Acrylic Acid
• 中文名称4-甲氧基肉桂酸
• IUPAC名称3-(4-methoxyphenyl)acrylic acid
• 其它别名4甲氧基肉桂酸
• CAS编号830-09-1
• MFCD编号:MFCD00004398
• EINECS号:212-594-0
• FDA UNII编号:6G4ML8401A
• 分子式:C10H10O3
• 分子量:178.18
• 产品CID: 1819630
• 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: AFDXODALSZRGIH-UHFFFAOYSA-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170-173°C
• 沸点250.41 °C at 760 mmHg
• 闪点138.6 °C
• 密度1.1479 (粗估)
• pKa:pK1:4.539 (25°C)
• PSA:46.53
• LogP:1.793
• 折射率1.5088 (估算)
• 蒸汽压2.86E-05 mmHg at 25 °C
• 溶解性Soluble In Dimethyl Sulfoxide And Methanol.
• 外观形态白色细结晶粉末
• 储存条件置于阴暗处,密封, 常温干燥保存
• 产品应用主要是有机合成医药中间体,可用来合成抗肾上腺素药艾司洛尔.
• 性质描述本品为白色结晶体,溶于乙醇,乙酸乙酯等有机溶剂中.熔点170-174°C,含量≥99.0.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  特定目标器官毒性 - 单次接触 类别3
• 警示词Warning(警告)
• 危险描述H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H335 |可能引起呼吸道刺激.
• 防范说明P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 风险等级Irritant
• 安全声明26-37/39-36
• 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

• 832-01-9 = 830-09-1
  反应条件:1.1 Reagents: Water Catalysts: Ferric Sulfate,Poly(Oxy-1,2-Ethanediyl),α-[2-[1-(3-Sulfopropyl)-1H-Imidazolium-3-Yl]Ethyl]-ω-[... Solvents: Toluene,Water; 2 H,110 °C
  标题:Facile And Efficient Hydrolysis Of Organic Halides,Epoxides,And Esters With Water Catalyzed By Ferric Sulfate In A Peg1000-Dail[bf4]/toluene Temperature-Dependent Biphasic System
  作者:Hu,Yu Lin; Et Al
  参考文献:New Journal Of Chemistry 日期:2011 卷标:35(2) 页码:292-298]
  
  2033-24-1 + 123-11-5 = 830-09-1
  反应条件:1.1 Catalysts: 2-(Aminocarbonyl)Hydrazinesulfonic Acid; 25 Min,110 °C
  标题:Synthesis And Characterization Of Two Novel Biological-Based Nano Organo Solid Acids With Urea Moiety And Their Catalytic Applications In The Synthesis Of 4,4'-(Arylmethylene)Bis(1H-Pyrazol-5-Ol),Coumarin-3-Carboxylic Acid And Cinnamic Acid Derivatives Under Mild And Green Conditions
  作者:Zolfigol,Mohammad Ali; Et Al
  参考文献:Rsc Advances 日期:2015 卷标:5(88) 页码:71942-71954]
  
  2033-24-1 + 123-11-5 = 830-09-1
  反应条件:1.1 Solvents: Water; 35 Min,60 °C; 60 °C -> Rt
  标题:Aqueous Extract Of Acacia Concinna Pods: An Efficient Surfactant Type Catalyst For Synthesis Of 3-Carboxycoumarins And Cinnamic Acids Via Knoevenagel Condensation
  作者:Chavan,Hemant V.; Et Al
  参考文献:Acs Sustainable Chemistry & Engineering 日期:2013 卷标:1(8) 页码:929-936]
  
  = 830-09-1
  反应条件:1.1 Reagents: Potassium Carbonate,Tetrabutylammonium Bromide Catalysts: Palladium Solvents: Water; 15 Min,170 °C
  标题:Scale-Up Of Microwave-Promoted Reactions To The Multigram Level Using A Sealed-Vessel Microwave Apparatus
  作者:Bowman,Matthew D.; Et Al
  参考文献:Organic Process Research & Development 日期:2008 卷标:12(6) 页码:1078-1088]
  
  867-13-0 + 123-11-5 = 830-09-1
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Tetrahydrofuran; 10 Min,5 °C; 5 °C -> 25 °C; 8 H,25 °C -> Reflux1.2 Solvents: Water1.3 Reagents: Sodium Hydroxide Solvents: Tetrahydrofuran,Water; 3 H,Reflux1.4 Reagents: Hydrochloric Acid Solvents: Diethyl Ether,Water; Acidified
  标题:Copper/silver-Mediated Decarboxylative Trifluoromethylation Of α,β-Unsaturated Carboxylic Acids With Cf3So2Na
  作者:Yin,Jun; Et Al
  参考文献:Synthesis 日期:2014 卷标:46(5) 页码:607-612]
  
  569669-07-4 = 830-09-1
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Catalysts: [1,3-Bis[2,6-Bis(1-Methylethyl)Phenyl]-1,3-Dihydro-2H-Imidazol-2-Ylidene]Chloroc... Solvents: Tetrahydrofuran; 1 Atm,Rt; 24 H,70 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Acidified
  标题:Carboxylation Of Organoboronic Esters Catalyzed By N-Heterocyclic Carbene Copper(I) Complexes
  作者:Ohishi,Takeshi; Et Al
  参考文献:Angewandte Chemie 日期:2008 卷标:47(31) 页码:5792-5795]
  
  7400-08-0 = 830-09-1
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Methanol; Reflux
  标题:Synthesis And Liquid Crystal Properties Of Novel Ethylene Derivatives: α-3-[-4'-N-Alkoxy Cinnamoyloxy]Phenyl-β-4''-Methoxybenzoyl Ethylenes
  作者:Chauhan,H. N.; Et Al
  参考文献:Molecular Crystals And Liquid Crystals 日期:2012 卷标:569(1) 页码:33-39]
  
  1929-30-2 = 830-09-1
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol; 3 H,60 °C
  标题:Synthesis Of N-Phenethyl-P-Methoxycinnamamide And N-Morpholinyl-P-Methoxycinnamamide,In Vitro And In Silico Study As α-Glucosidase Inhibitor
  作者:Rasyid,Herlina; Et Al
  参考文献:Indonesian Journal Of Chemistry 日期:2022 卷标:22(6) 页码:1673-1683]
  
  123-11-5 = 830-09-1
  反应条件:1.1 Catalysts: Sodium Borohydride; 30 °C; 1 H,Rt; 1 H,100 °C1.2 Solvents: N-Methyl-2-Pyrrolidone; 2 - 3 Min,90 °C; 90 °C -> 187 °C; 12 H,190 °C
  标题:A New Direct Synthesis Of Cinnamic Acids From Aromatic Aldehydes And Aliphatic Carboxylic Acids In The Presence Of Sodium Borohydride
  作者:Chiriac,Constantin I.; Et Al
  参考文献:Tetrahedron Letters 日期:2003 卷标:44(17) 页码:3579-3580]
  
  696-62-8 = 830-09-1
  反应条件:1.1 Reagents: Tributylamine Catalysts: Palladium (Amidoxime Complexes,Poly(Acrylonitrile)-Supported) Solvents: Dimethylformamide; 6 H,90 °C
  标题:Synthesis Of Chelating Fibers Containing Amidoxime Groups (Aocf) Supported Palladium(Ii) Complex And Its Catalytic Properties For Heck Reaction
  作者:Wu,Qi; Et Al
  参考文献:Fenzi Cuihua 日期:2010 卷标:24(3) 页码:254-261]
  
  696-62-8 = 830-09-1
  反应条件:1.1 Reagents: Tributylamine Catalysts: Palladium Solvents: Water; 5 H,90 °C1.2 Reagents: Sodium Carbonate Solvents: Water; 10 Min
  标题:Synthesis Of Cmc Supported Palladium (0) Complex And Its Catalytic Behavior For Heck Reaction
  作者:Xu,Ying; Et Al
  参考文献:Jingxi Huagong 日期:2008 卷标:25(11) 页码:1083-1086]
  
  696-62-8 = 830-09-1
  反应条件:1.1 Reagents: Potassium Hydroxide Catalysts: Chloro[4-(Diphenylphosphino-Kp)Benzamide](η3-2-Propen-1-Yl)Palladium (Amphiphilic Resin-Supported) Solvents: Toluene,Water; 14 H,50 °C
  标题:Heck Reaction In Water With Amphiphilic Resin-Supported Palladium-Phosphine Complexes
  作者:Uozumi,Yasuhiro; Et Al
  参考文献:Synlett 日期:2002 卷标:(12) 页码:2045-2048]
  
  = 830-09-1
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Palladium Diacetate,Tri-O-Tolylphosphine Solvents: Dimethylformamide,Water
  标题:Synthesis Of Substituted Cinnamic Acids Via Heck Reaction In Aqueous Media
  作者:Bumagin,N. A.; Et Al
  参考文献:Izvestiya Akademii Nauk Sssr 日期:1988 卷标:(6) 页码:1449-50]
  
  = 830-09-1
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Palladium Solvents: Water; 100 Min,Reflux
  标题:Engineered Mesoporous Ionic-Modified γ-Fe2O3@hydroxyapatite Decorated With Palladium Nanoparticles And Its Catalytic Properties In Water
  作者:Pashaei,Mokhtar; Et Al
  参考文献:Applied Organometallic Chemistry 日期:2019 卷标:33(1)]
  
  17581-85-0 = 830-09-1
  反应条件:1.1 Reagents: Oxygen Catalysts: Potassium Chloride,1-Butanaminium,N,N,N-Tributyl-,Ferratehexa-μ3-Hydroxyhexa-μ-Oxododecaoxohexamo... Solvents: Water; 24 H,1 Atm,70 °C
  标题:Selective Iron-Catalyzed Aerobic Oxidation Of Alcohols In Water To Carboxylic Acids Mediated By Additives
  作者:Yu,Han; Et Al
  参考文献:Green Chemistry 日期:2022 卷标:24(17) 页码:6511-6516]
  
  17581-85-0 = 830-09-1
  反应条件:1.1 Reagents: Carbon Dioxide Catalysts: Tripotassium Phosphate,Molybdate(3-),Chromatehexa-μ3-Hydroxyhexa-μ-Oxododecaoxohexa-,Ammonium (1:3) Solvents: Dimethyl Sulfoxide; 24 H,1 Bar,80 °C
  标题:Highly Efficient Oxidation Of Alcohols To Carboxylic Acids Using A Polyoxometalate-Supported Chromium(Iii) Catalyst And Co2
  作者:Wang,Ying; Et Al
  参考文献:Green Chemistry 日期:2020 卷标:22(10) 页码:3150-3154]
  
  17581-85-0 = 830-09-1
  反应条件:1.1 Reagents: Sodium Tert-Butoxide,Oxygen Solvents: Toluene; 3 H,1 Atm,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water
  标题:Transition Metal-Free,Nao-Tert-Bu-O2-Mediated One-Pot Cascade Oxidation Of Allylic Alcohols To α,β-Unsaturated Carboxylic Acids
  作者:Kim,Sun Min; Et Al
  参考文献:Green Chemistry 日期:2012 卷标:14(11) 页码:2996-2998]
  
  832-01-9 = 830-09-1
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Ethanol; 3 H,65 °C1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 3
  标题:Cytotoxicity Of Coprinopsis Atramentaria Extract,Organic Acids And Their Synthesized Methylated And Glucuronate Derivatives
  作者:Heleno,Sandrina A.; Et Al
  参考文献:Food Research International 日期:2014 卷标:55 页码:170-175]
  
  = 830-09-1
  反应条件:1.1 Reagents: Potassium Carbonate,Tetrabutylammonium Bromide Catalysts: Palladium Chloride Solvents: Water; 280 Psi,Rt; 11.5 Min,Rt -> 175 °C; 15 Min,< 350 Psi,175 °C -> 165 °C; < 350 Psi -> 14.7 Psi,165 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 2
  标题:Exploring The Scope For Scale-Up Of Organic Chemistry Using A Large Batch Microwave Reactor
  作者:Schmink,Jason R.; Et Al
  参考文献:Organic Process Research & Development 日期:2010 卷标:14(1) 页码:205-214]
  
  21405-61-8 = 830-09-1
  反应条件:1.1 Solvents: Ethanol; 24 H,Reflux
  标题:A One-Pot Synthesis Of 3-Amino-3-Arylpropionic Acids
  作者:Tan,C. Y. K.; Et Al
  参考文献:Tetrahedron 日期:2002 卷标:58(37) 页码:7449-7461]
  
  867-13-0 + 123-11-5 = 830-09-1
  反应条件:1.1 Reagents: Sodium Hydride Solvents: Dichloromethane; 0 °C; 0 °C -> Rt1.2 Rt1.3 Reagents: Sodium Hydroxide Solvents: Methanol,Dichloromethane; Rt1.4 Reagents: Hydrochloric Acid Solvents: Water; Ph 2 - 3
  标题:Research On A New Method For Synthesis Of Cinnamic Acid And Its Derivatives
  作者:Chu,Chao-Sen; Et Al
  参考文献:Yingyong Huagong 日期:2015 卷标:44(3) 页码:442-444]
  
  110621-98-2 = 830-09-1
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Methanol
  标题:Iodoarylation Of Acrylonitrile And Acrylate Esters With Arenediazonium Salts
  作者:Ganushchak,N. I.; Et Al
  参考文献:Zhurnal Organicheskoi Khimii 日期:1986 卷标:22(12) 页码:2554-8]
  
  7400-08-0 = 830-09-1
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Ethanol,Water; Rt -> 50 °C1.2 50 °C; 7 H,60 - 70 °C
  标题:Preparation And Properties Of High Birefringence Phenylacetylene Isothiocyanato-Based Blend Liquid Crystals
  作者:Zhao,Yang; Et Al
  参考文献:Molecular Crystals And Liquid Crystals 日期:2022 卷标:744(1) 页码:1-10]
  
  7400-08-0 = 830-09-1
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Methanol; Reflux
  标题:Synthesis And Study Of A Novel Homologous Series Of Mesogens With Ethylene Link: α-3-[4'-N-Alkoxycinnamoyloxy]Phenyl-β-3''-Nitro Benzoyl Ethylenes
  作者:Chaudhari,R. P.; Et Al
  参考文献:Pharma Chemica 日期:2012 卷标:4(3) 页码:1270-1276]
  
  77820-32-7 = 830-09-1
  反应条件:1.1 Reagents: Acetic Acid,Samarium Solvents: Tetrahydrofuran
  标题:Efficient Debromination Of Vicinal α,β-Dibromo Carboxylic Acid Derivatives With The Sm/hoac System
  作者:Wang,Xiao Xia; Et Al
  参考文献:Chinese Chemical Letters 日期:2002 卷标:13(6) 页码:499-500]
  
  = 830-09-1
  反应条件:1.1 Reagents: Sodium Nitrite,Sulfuric Acid Solvents: Acetic Acid,Water1.2 Reagents: Tert-Butanol1.3 Catalysts: 1,2-Bis(Diphenylphosphino)Ethane,Bis(Dibenzylideneacetone)Palladium Solvents: Ethyl Acetate1.4 -
  标题:Palladium Catalyzed Process For Making Arylacrylic Acids And Their Esters From Arylamines And Olefins
  参考文献:European Patent Organization]
  
  123-11-5 + 920-54-7 = 830-09-1
  反应条件:1.1 12 H,190 - 200 °C1.2 Reagents: Sodium Hydroxide Solvents: Water; 5 - 6 H,Basified,Reflux; Reflux -> Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Ph 1 - 2,Rt
  标题:A New Synthesis Of Cinnamic Acids From Aromatic Aldehydes And N,N-Dimethylacetamide Hydrochloride
  作者:Chiriac,Constantin I.; Et Al
  参考文献:Revue Roumaine De Chimie 日期:2008 卷标:52(10) 页码:949-952]
  
  123-11-5 = 830-09-1
  反应条件:1.1 Reagents: Boron Tribromide Solvents: Benzene; 30 - 40 Min,0 °C; 1 H,Rt; 5 - 6 H,55 - 65 °C1.2 Reagents: Acetic Acid,Pyridine,4-(Dimethylamino)Pyridine Solvents: Benzene,N-Methyl-2-Pyrrolidone; 5 Min,20 - 30 °C; Reflux1.3 Reagents: Pyridine,4-(Dimethylamino)Pyridine Solvents: N-Methyl-2-Pyrrolidone; 9 H,180 - 190 °C1.4 Reagents: Sodium Hydroxide Solvents: N-Methyl-2-Pyrrolidone,Water; Ph 9 - 10,Reflux1.5 Reagents: Hydrochloric Acid Solvents: Water; Ph 1 - 2,Rt
  标题:A Novel Approach In Cinnamic Acid Synthesis: Direct Synthesis Of Cinnamic Acids From Aromatic Aldehydes And Aliphatic Carboxylic Acids In The Presence Of Boron Tribromide
  作者:Chiriac,Constantin I.; Et Al
  参考文献:Molecules 日期:2005 卷标:10(2) 页码:481-487

海关参考信息

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