CAS: 83834-59-7; (E)-2-Ethylhexyl 3-(4-Methoxyphenyl)Acrylate

• 英文名称(E)-2-Ethylhexyl 3-(4-Methoxyphenyl)Acrylate
• 中文名称对甲氧基肉桂酸异辛酯
• IUPAC名称2-ethylhexyl (E)-3-(4-methoxyphenyl)acrylate
• 其它别名反式对甲氧基肉桂酸异辛酯; (E)-Octyl Methoxycinnamate
• CAS编号83834-59-7
• MFCD编号:MFCD00072582
• EINECS号:629-661-9
• 分子式:C18H26O3
• 分子量:290.4
• 产品CID: 1826666
• 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: YBGZDTIWKVFICR-JLHYYAGUNA-N
• InChI=1S/C18H26O3/c1-4-6-7-15(5-2)14-21-18(19)13-10-16-8-11-17(20-3)12-9-16/h8-13,15H,4-7,14H2,1-3H3/b13-10+…
• 计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数9.0

物理性质

• 熔点-25°C
• 沸点405.3±20.0 °C at 760 mmHg
• 闪点171.6±16.4 °C
• 密度1.0±0.1 g/cm3
• PSA:35.53
• LogP:5.1041
• 折射率1.515
• 蒸汽压0.0±0.9 mmHg at 25°C
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 敏感性常温常压下稳定
• 外观形态液体
• 储存条件2-8°C
• 产品应用该化合物用于减少疤痕的外观.八氧化剂还具有复杂和诱导和雌性效应.

MSDS等安全信息

• GHS象形图
• GHS符号GHS09;
  注释: Environment
• 危险类别水生慢性毒性 类别2
  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
• 警示词Warning
• 危险描述H411 |对水生生物有毒并具有长期持续影响.
  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P273-P391-P501
• 危险等级9
• UN编号3082.0
• 危险品标志Xi
• 包装等级Ⅲ
• 安全声明24/25-36-26
• 危险类别码36/37/38
• WGK Germany3

欧盟法规

合成工艺路线路线简述

• 103-11-7 + 696-62-8 = 83834-59-7
  反应条件:1.1 Reagents: Potassium Acetate Catalysts: Palladium (Nanoparticles) Solvents: N-Methyl-2-Pyrrolidone,Water; 24 H,135 °C
  标题:Water-Stabilized Three- And Four-Atom Palladium Clusters As Highly Active Catalytic Species In Ligand-Free C-C Cross-Coupling Reactions
  作者:Leyva-Perez,Antonio; Et Al
  参考文献:Angewandte Chemie 日期:2013 卷标:52(44) 页码:11554-11559]
  
  103-11-7 = 83834-59-7
  反应条件:1.1 Reagents: Tributylamine Catalysts: Palladium Solvents: Tetrabutylammonium Bromide; 4 H,120 °C
  标题:An Efficient Protocol For Synthesis Of 4-Methoxycinnamate In Ionic Liquid
  作者:Wang,Yu Fang; Et Al
  参考文献:Journal Of The Indian Chemical Society 日期:2013 卷标:90(4) 页码:489-492]
  
  103-11-7 = 83834-59-7
  反应条件:1.1 Catalysts: Tri-Tert-Butylphosphine,α-Cyclohexylcyclohexanemethanamine,Tris(Dibenzylideneacetone)Dipalladium Solvents: 1,4-Dioxane
  标题:A Versatile Catalyst For Heck Reactions Of Aryl Chlorides And Aryl Bromides Under Mild Conditions
  作者:Littke,Adam F.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2001 卷标:123(29) 页码:6989-7000]
  
  103-11-7 = 83834-59-7
  反应条件:1.1 Reagents: Cesium Carbonate Catalysts: Palladium Chloride,(3Z)-2-Ethoxy-2,3-Dihydro-3-[[(4-Methylphenyl)Amino]Methylene]-4H-1-Benzopyran-4... Solvents: Water; 3 - 4 H,90 °C
  标题:Chroman-4-One-Based Amino Bidentate Ligand: An Efficient Ligand For Suzuki-Miyaura And Mizoroki-Heck Coupling Reactions In Aqueous Medium
  作者:Khan,Danish; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2021 卷标:2021(35) 页码:4946-4957]
  
  103-11-7 + 14874-70-5 + 17333-79-8 = 83834-59-7
  反应条件:1.1 Catalysts: Palladium Diacetate Solvents: Methanol; 30 Min,25 °C1.2 25 °C
  标题:Reactivity Patterns Of Olefins In The Matsuda-Heck-Reaction And Their Impact On The Formation Of Pd-Nanoparticles
  作者:Mateliene,Lauryna; Et Al
  参考文献:Chemistryselect 日期:2023 卷标:8(20)]
  
  104-76-7 + 24393-56-4 = 83834-59-7
  反应条件:1.1 Catalysts: P-Toluenesulfonic Acid Solvents: 2-Ethylhexanol; Overnight,Reflux1.2 Reagents: Sodium Bicarbonate Solvents: Water; Rt
  标题:A Practical,Efficient,And Atom Economic Alternative To The Wittig And Horner-Wadsworth-Emmons Reactions For The Synthesis Of (E)-α,β-Unsaturated Esters From Aldehydes
  作者:List,Benjamin; Et Al
  参考文献:Tetrahedron 日期:2006 卷标:62(2-3) 页码:476-482]
  
  104-76-7 + 3901-07-3 = 83834-59-7
  反应条件:1.1 Catalysts: Potassium Carbonate; 12 H,135 °C
  标题:Transformation Of Corn Lignin Into Sun Cream Ingredients
  作者:Yang See,Jie; Et Al
  参考文献:Chemsuschem 日期:2021 卷标:14(6) 页码:1586-1594]
  
  103-09-3 + 123-11-5 = 83834-59-7
  反应条件:1.1 Catalysts: Alumina,Potassium Fluoride,Polyethylene Glycol Solvents: Ethanol,Water; 18 - 25 °C
  标题:Study On The Catalytic Synthesis Of 2-Ethylhexyl P-Methoxycinnamate By Kf-Al2O3
  作者:Zhaona,Situ; Et Al
  参考文献:Huaxue Shiji 日期:2002 卷标:24(5) 页码:307-308]
  
  103-11-7 = 83834-59-7
  反应条件:1.1 Catalysts: Lithium Bromide,Palladium Chloride Solvents: N-Methyl-2-Pyrrolidone; 15 H,160 °C
  标题:General Olefin Synthesis By The Palladium-Catalyzed Heck Reaction Of Amides: Sterically Controlled Chemoselective N-C Activation
  作者:Meng,Guangrong; Et Al
  参考文献:Angewandte Chemie 日期:2015 卷标:54(48) 页码:14518-14522]
  
  1071-46-1 + 123-11-5 = 83834-59-7
  反应条件:1.1 Catalysts: Piperidine,4-(Dimethylamino)Pyridine Solvents: Dimethylformamide; 24 - 48 H,25 °C2.1 Catalysts: P-Toluenesulfonic Acid Solvents: 2-Ethylhexanol; Overnight,Reflux2.2 Reagents: Sodium Bicarbonate Solvents: Water; Rt
  标题:A Practical,Efficient,And Atom Economic Alternative To The Wittig And Horner-Wadsworth-Emmons Reactions For The Synthesis Of (E)-α,β-Unsaturated Esters From Aldehydes
  作者:List,Benjamin; Et Al
  参考文献:Tetrahedron 日期:2006 卷标:62(2-3) 页码:476-482]
  
  2033-24-1 + 123-11-5 = 83834-59-7
  反应条件:1.1 Solvents: Water2.1 Catalysts: Ferric Chloride Hexahydrate Solvents: Nitromethane; 15 Min2.2 Catalysts: Piperidine; 15 Min
  标题:An Expedient Stereoselective Synthesis Of (E)-α,β-Unsaturated Esters And Thioesters Using Fecl3.6H2O
  作者:Mohite,Amar R.; Et Al
  参考文献:Tetrahedron Letters 日期:2017 卷标:58(8) 页码:770-774]
  
  103-11-7 + 4180-23-8 = 83834-59-7
  反应条件:1.1 Catalysts: Grubbs' Catalyst Solvents: Dichloromethane,Decane; 6 H,70 °C
  标题:Chemical Plants: High-Value Molecules From Essential Oils
  作者:Lummiss,Justin A. M.; Et Al
  参考文献:Journal Of The American Chemical Society 日期:2012 卷标:134(46) 页码:18889-18891]
  
  103-11-7 + 696-62-8 = 83834-59-7
  反应条件:1.1 Reagents: Tributylamine Catalysts: Palladium Solvents: Tetrabutylammonium Bromide; 4 H,120 °C
  标题:An Efficient Protocol For Synthesis Of 4-Methoxycinnamate In Ionic Liquid
  作者:Wang,Yu Fang; Et Al
  参考文献:Journal Of The Indian Chemical Society 日期:2013 卷标:90(4) 页码:489-492]
  
  103-11-7 + 696-62-8 = 83834-59-7
  反应条件:1.1 Reagents: Potassium Carbonate,Oxygen Catalysts: Tetrabutylammonium Bromide,2453297-41-9 Solvents: Methanol,Water; 25 Min,160 °C
  标题:Mimics Of Pincer Ligands: An Accessible Phosphine-Free N-(Pyrimidin-2-Yl)-1,2-Azole-3-Carboxamide Framework For Binuclear Pd(Ii) Complexes And High-Turnover Catalysis In Water
  作者:Kletskov,Alexey V.; Et Al
  参考文献:Inorganic Chemistry 日期:2020 卷标:59(15) 页码:10384-10388]
  
  123-11-5 + 507454-42-4 = 83834-59-7
  反应条件:1.1 Reagents: Poly(Methylhydrosiloxane) Catalysts: Chloro(5,10,15,20-Tetrakis(4-Chlorophenyl)Porphyrinato)Iron,Arsine,Diphenyl-10-Undecen-1-Yl-,Polymer With Ethene Solvents: Toluene; 20 H,110 °C
  标题:A Newly-Designed Pe-Supported Arsine For Efficient And Practical Catalytic Wittig Olefination
  作者:Wang,Peng; Et Al
  参考文献:Chemical Communications (Cambridge 日期:2012 卷标:48(2) 页码:290-292]
  
  103-11-7 + 14874-70-5 + 17333-79-8 = 83834-59-7
  反应条件:1.1 Catalysts: Palladium,Bis[1,3-Dihydro-1,3-Bis(2,4,6-Trimethylphenyl)-2H-Imidazol-2-Ylidene]... Solvents: Methanol; 1 H,50 °C
  标题:Synthesis Of Monocarbenepalladium(0) Complexes And Their Catalytic Behavior In Cross-Coupling Reactions Of Aryldiazonium Salts
  作者:Selvakumar,Kumaravel; Et Al
  参考文献:Chemistry - A European Journal 日期:2002 卷标:8(17) 页码:3901-3906]
  
  103-11-7 + 14874-70-5 + 17333-79-8 = 83834-59-7
  反应条件:1.1 Reagents: Xonotlite (Ca(Sio3).Xh2O) Catalysts: Palladium Diacetate Solvents: Methanol; 3 H,25 °C
  标题:Utilization Of Synthetic Calcium-Phyllosilicates As Bifunctional Bases In The Matsuda-Heck Reaction
  作者:Brunner,Heiko; Et Al
  参考文献:Chemcatchem 日期:2019 卷标:11(2) 页码:698-702]
  
  104-76-7 + 943-89-5 = 83834-59-7
  反应条件:1.1 Reagents: Oxalyl Chloride Solvents: Dichloromethane; 1.5 H,Rt1.2 Overnight,Rt
  标题:2-Ethylhexyl-2,4,5-Trimethoxycinnamate And Di-(2-Ethylhexyl)-2,4,5-Trimethoxybenzalmalonate As Novel Uva Filters
  作者:Monhaphol,Thitinun; Et Al
  参考文献:Journal Of Pharmacy And Pharmacology 日期:2007 卷标:59(2) 页码:279-288]
  
  768-60-5 + 104-76-7 = 83834-59-7
  反应条件:1.1 Reagents: Dabco Catalysts: Diiron Nonacarbonyl,1,2-Bis[(2,6-Diisopropylphenyl)Imino]Acenaphthene Solvents: Toluene,Tetrahydrofuran; 10 Bar,Rt; 36 H,110 °C
  标题:Iron-Catalyzed Highly Selective Hydroalkoxycarbonylation Of Alkynes Using Co As C1 Source
  作者:Tewari,Tanuja; Et Al
  参考文献:Catalysis Science & Technology 日期:2023 卷标:13(19) 页码:5549-5555]
  
  104-76-7 + 15795-54-7 = 83834-59-7
  反应条件:1.1 Catalysts: Ferric Chloride Hexahydrate Solvents: Nitromethane; 15 Min1.2 Catalysts: Piperidine; 15 Min
  标题:An Expedient Stereoselective Synthesis Of (E)-α,β-Unsaturated Esters And Thioesters Using Fecl3.6H2O
  作者:Mohite,Amar R.; Et Al
  参考文献:Tetrahedron Letters 日期:2017 卷标:58(8) 页码:770-774]
  
  104-76-7 + 24680-50-0 = 83834-59-7
  反应条件:1.1 Reagents: Oxygen Catalysts: 2,6-Di-Tert-Butylphenol,Iron(Ii) Phthalocyanine,1,5,7-Triazabicyclo[4.4.0]Dec-5-Ene,4H-1,2,4-Triazolium,1,4-Dimethyl-,Iodide (1:1) Solvents: Acetonitrile; 3 Min,Rt1.2 Reagents: Oxygen; 3 H,Rt
  标题:Attractive Aerobic Access To The α,β-Unsaturated Acyl Azolium Intermediate: Oxidative Nhc Catalysis Via Multistep Electron Transfer
  作者:Ta,L.; Et Al
  参考文献:Green Chemistry 日期:2016 卷标:18(3) 页码:686-690]
  
  824-94-2 + 103-11-7 = 83834-59-7
  反应条件:1.1 Reagents: Tributylamine Catalysts: Palladium Chloride Solvents: Tetrabutylammonium Bromide; 4 H,120 °C
  标题:An Efficient Protocol For Synthesis Of 4-Methoxycinnamate In Ionic Liquid
  作者:Wang,Yu Fang; Et Al
  参考文献:Journal Of The Indian Chemical Society 日期:2013 卷标:90(4) 页码:489-492]
  
  141-82-2 + 123-11-5 = 83834-59-7
  反应条件:1.1 Reagents: Piperidine Solvents: Pyridine; 5 H,Reflux2.1 Reagents: Oxalyl Chloride Solvents: Dichloromethane; 1.5 H,Rt2.2 Overnight,Rt
  标题:2-Ethylhexyl-2,4,5-Trimethoxycinnamate And Di-(2-Ethylhexyl)-2,4,5-Trimethoxybenzalmalonate As Novel Uva Filters
  作者:Monhaphol,Thitinun; Et Al
  参考文献:Journal Of Pharmacy And Pharmacology 日期:2007 卷标:59(2) 页码:279-288

海关参考信息

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