CAS: 953-26-4; Ethyl 4-Nitrocinnamate

• 英文名称Ethyl 4-Nitrocinnamate
• 中文名称4-硝基肉桂酸乙酯
• IUPAC名称ethyl 3-(4-nitrophenyl)acrylate
• 其它别名4-硝基肉桂酸乙酯(易制爆,甄准不供应); Ethyl4-Nitrocinnnamate
• CAS编号953-26-4
• MFCD编号:MFCD00007380
• EINECS号:213-463-0
• 分子式:C11H11NO4
• 分子量:221.21
• 产品CID: 2006294
• 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: PFBQVGXIMLXCQB-UHFFFAOYSA-N
• InChI=1S/C11H11NO4/c1-2-16-11(13)8-5-9-3-6-10(7-4-9)12(14)15/h3-8H,2H2,1H3/b8-5+…
• 计算化学: 氢键受体数4.0氢键供体数0可旋转键数4

物理性质

• 熔点137-140 °C
• 沸点326.6 °C at 760 mmHg
• 闪点141 °C
• 密度1.237g/cm3
• PSA:69.44
• LogP:2.1711
• 折射率1.582
• 蒸汽压0.000214 mmHg at 25 °C
• 溶解性Insoluble
• 敏感性常温常压下稳定，避免氧化物 强碱 水分接触
• 外观形态淡黄米色至黄色细结晶粉末
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用于研究乙基乙基T-苯甲胺及其替代衍生物的活性,在六甲基磷酰胺和丁醇存在的情况下,二碘胺馆将二碘化物及其代衍生物减少.

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
• 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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明24/25
• 危险类别码S24/25:Prevent skin and eye contact.
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 555-16-8 + 1099-45-2 = 953-26-4
  反应条件:1.1 Solvents: Dimethyl Sulfoxide
  标题:Kinetic Study Of Microwave-Assisted Wittig Reaction Of Stabilised Ylides With Aromatic Aldehydes
  作者:Frattini,S.; Quai,M.; Cereda,E.
  参考文献:Tetrahedron Letters 日期:2001 卷标:42(39) 页码:6827-6829]
  
  = 953-26-4
  反应条件:1.1 Reagents: Triethylamine Catalysts: Diiodobis(Triphenylphosphine)Palladium Solvents: Dimethylformamide; 12 H,110 °C
  标题:Improved Synthesis Method Of Palladium Complex
  参考文献:China]
  
  = 953-26-4
  反应条件:1.1 Reagents: Triethylamine,Tetrabutylammonium Bromide Catalysts: Iodo[2-[1-[(4-Methylphenyl)Imino-Kn]Ethyl]Ferrocenyl-Kc](Triphenylphosphine)Pall... Solvents: Water; 20 H,Reflux
  标题:Heck Reaction Catalyzed By Cyclopalladated Ferrocenylimine Derivatives In Water
  作者:Zhang,Shi; Zhang,Hongyu; Yan,Xiaohui
  参考文献:Henan Huagong 日期:2006 卷标:23(3) 页码:20-22]
  
  = 953-26-4
  反应条件:1.1 Reagents: Triethylamine Catalysts: Palladium,Di-μ-Chlorobis[2-[s-Methyl-N-[(4-Methylphenyl)Sulfonyl]Sulfinimidoyl-... Solvents: N-Methyl-2-Pyrrolidone; 12 H,140 °C
  标题:Sulfilimine Palladacycles: Stable And Efficient Catalysts For Carbon-Carbon Coupling Reactions
  作者:Thakur,Vinay V.; Kumar,N. S. C. Ramesh; Sudalai,A.
  参考文献:Tetrahedron Letters 日期:2004 卷标:45(14) 页码:2915-2918]
  
  = 953-26-4
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Palladium Chloride,1H-Imidazolium,3,3′-[2,2-Bis(Hydroxymethyl)-1,3-Propanediyl]Bis[1-Methyl-,Salt... Solvents: Dimethylformamide,Water; 0.5 H,80 °C
  标题:Aqueous-Phase,Palladium-Catalyzed Heck Reaction. The Significant Role Of Cn-Containing Counter Anion
  作者:Cai,Yueqin; Song,Gonghua; Zhou,Xiaoying
  参考文献:Chinese Journal Of Chemistry 日期:2012 卷标:30(12) 页码:2819-2822]
  
  = 953-26-4
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: (Sp-4-1)-(Acetato-Ko)[2-[bis(1-Methylethyl)Phosphino-Kp]-N-[2-[bis(1-Methylethyl... Solvents: N-Methyl-2-Pyrrolidone; 20 H,110 °C
  标题:N-H Cleavage As A Route To Palladium Complexes Of A New Pnp Pincer Ligand
  作者:Fan,Lei; Foxman,Bruce M.; Ozerov,Oleg V.
  参考文献:Organometallics 日期:2004 卷标:23(3) 页码:326-328]
  
  14874-70-5 + 14368-49-1 = 953-26-4
  反应条件:1.1 Catalysts: 1908483-91-9 (Polystyrene Supported) Solvents: Ethanol; 0.66 H,Rt
  标题:Synthesis Of Polystyrene-Supported Pd(Ii)-Nhc Complex Derived From Theophylline As An Efficient And Reusable Heterogeneous Catalyst For The Heck-Matsuda Cross-Coupling Reaction
  作者:Mohammadi,Elmira; Movassagh,Barahman
  参考文献:Journal Of Molecular Catalysis A: Chemical 日期:2016 卷标:418 页码:418-419]
  
  882-06-4 = 953-26-4
  反应条件:1.1 Reagents: Chlorotrimethylsilane Solvents: Ethanol; 12 H,Rt
  标题:Synthesis Of Oxadiazole-2-Oxide Analogues As Potential Antischistosomal Agents
  作者:Rai,Ganesha; Thomas,Craig J.; Leister,William; Maloney,David J.
  参考文献:Tetrahedron Letters 日期:2009 卷标:50(15) 页码:1710-1713]
  
  619-89-6 = 953-26-4
  反应条件:1.1 Reagents: Triethylamine Solvents: Acetonitrile,Triethylamine; 10 Min,0 °C
  标题:A Microwave-Accelerated Esterification Of α,β-Unsaturated Acids With Alkyl Or Aryl Carbonochloridate And Triethylamine In Acetonitrile As A Novel Esterifying Reagent Mixture
  作者:Pathania,Vinod; Sharma,Anuj; Sinha,Arun K.
  参考文献:Helvetica Chimica Acta 日期:2005 卷标:88(4) 页码:811-816]
  
  = 953-26-4
  反应条件:1.1 Reagents: Triethylamine Catalysts: Palladium Solvents: Toluene,Water; 20 H,100 °C
  标题:Heck Reaction Catalyzed By Pd/c,In A Triphasic-Organic/aliquat 336/aqueous-Solvent System
  作者:Perosa,Alvise; Tundo,Pietro; Selva,Maurizio; Zinovyev,Sergei; Testa,Alberto
  参考文献:Organic & Biomolecular Chemistry 日期:2004 卷标:2(15) 页码:2249-2252]
  
  = 953-26-4
  反应条件:1.1 Reagents: Triethylamine Catalysts: Palladium (Meso-Macroporous Organic Polymer-Supported Nanoparticles),Divinylbenzene-4-Vinylpyridine Copolymer (Quaternized With Eti,Complex With Pd(0)) Solvents: Dimethylformamide; 6 H,90 °C
  标题:Meso-Macroporous Organic Polymer-Supported Homogeneously Dispersed Small Pd Nanoparticles Obtained By A Simple Ion-Exchange Approach For The Heck Reaction
  作者:Ding,Shunmin; Qu,Baihong; Li,Yuan; Sun,Ling; Wu,Shaohua; Et Al
  参考文献:New Journal Of Chemistry 日期:2019 卷标:43(37) 页码:14674-14677]
  
  = 953-26-4
  反应条件:1.1 Reagents: Triethylamine Catalysts: (Sp-4-1)-[[4,4′,4′′,4′′′-(21H,23H-Porphine-5,10,15,20-Tetrayl-Kn21,Kn22,Kn23,Kn2... (Salts With Silica-Bound Methyl-Propyl-Imidazolium),1-Methyl-3-[3-(Trimethoxysilyl)Propyl]Imidazolium Chloride (Silica-Bound,Tetra(Sulfophenyl)Porphyrin Palladate Salts); 4 H,140 °C; 140 °C -> Rt
  标题:Pd-Porphyrin Functionalized Ionic Liquid-Modified Mesoporous Sba-15: An Efficient And Recyclable Catalyst For Solvent-Free Heck Reaction
  作者:Zhang,Jing; Zhao,Guo-Feng; Popovic,Zora; Lu,Yong; Liu,Ye
  参考文献:Materials Research Bulletin 日期:2010 卷标:45(11) 页码:1648-1653]
  
  = 953-26-4
  反应条件:1.1 Reagents: Sodium Carbonate,Oxygen Catalysts: Silica,Bis(Benzonitrile)Dichloropalladium,N1,N2-Bis[3-(Triethoxysilyl)Propyl]-1,2-Cyclohexanediamine Solvents: Dimethylacetamide,Water; 0.5 H,125 °C; Cooled
  标题:Heterogeneous Heck Reaction Catalysed By Silica Gel-Supported 1,2-Diaminocyclohexane-Pd Complex
  作者:Alam,Nazmul Md.; Sarkar,Shaheen M.; Miah,Rezwan Md.
  参考文献:Reaction Kinetics And Catalysis Letters 日期:2009 卷标:98(2) 页码:383-389]
  
  = 953-26-4
  反应条件:1.1 Reagents: Tributylamine Catalysts: Palladium; Rt; Rt -> 80 °C; 2 H,80 °C; 80 °C -> Rt
  标题:Palladium Nanoparticles Stabilized By An Ionic Polymer And Ionic Liquid: A Versatile System For C-C Cross-Coupling Reactions
  作者:Yang,Xue; Fei,Zhaofu; Zhao,Dongbin; Ang,Wee Han; Li,Yongdan; Et Al
  参考文献:Inorganic Chemistry 日期:2008 卷标:47(8) 页码:3292-3297]
  
  = 953-26-4
  反应条件:1.1 Reagents: Tributylamine Catalysts: Palladium Diacetate,1-Butyl-3-Methylimidazolium Hexafluorophosphate Solvents: Dodecane; 2.5 H,130 °C
  标题:Encapsulation Of Pd Complex In Ionic Liquid On Highly Ordered Mesoporous Silica Mcm-41
  作者:Sarkar,M. S.; Qiu,Huili; Jin,Myung-Jong
  参考文献:Journal Of Nanoscience And Nanotechnology 日期:2007 卷标:7(11) 页码:3880-3883]
  
  = 953-26-4
  反应条件:1.1 Reagents: Potassium Carbonate,Oxygen Catalysts: Zinc Oxide (Zno),Palladium Solvents: Dimethylformamide; 3 H,100 °C
  标题:Palladium Supported On Zinc Oxide Nanoparticles. Synthesis,Characterization,And Application As Heterogeneous Catalyst For Mizoroki-Heck And Sonogashira Reactions Under Ligand-Free And Air Atmosphere Conditions
  作者:Hosseini-Sarvari,Mona; Razmi,Zahra; Doroodmand,Mohammad Mehdi
  参考文献:Applied Catalysis 日期:2014 卷标:475 页码:477-486]
  
  = 953-26-4
  反应条件:1.1 Reagents: Potassium Carbonate Catalysts: Bis[μ-[2-[[2-(Dimethylamino-Kn)Phenyl]Phosphino-Kp:Kp]-N,N-Dimethylbenzenaminato... Solvents: N-Methyl-2-Pyrrolidone; 5 H,140 °C
  标题:Synthesis And Characterization Of Palladium Complexes Supported By An Npn-Phosphido Ancillary Ligand
  作者:Macinnis,Morgan C.; Mcdonald,Robert; Turculet,Laura
  参考文献:Organometallics 日期:2011 卷标:30(23) 页码:6408-6415]
  
  = 953-26-4
  反应条件:1.1 Reagents: Sodium Acetate Catalysts: Palladium Diacetate,1-Methyl-4-(1-Naphthalenylamino)Pyridinium Solvents: Dimethylformamide; 3 H,130 °C
  标题:One-Pot Synthesis Of New N-(1-Methylpyridin-4(1H)-Ylidene)Amine Ligands For Palladium-Catalyzed Heck Coupling Reaction
  作者:Zafar,Muhammad; Zahra,Sabeen; Tahir,Muhammad; Mughal,Ehsan; Nazar,Muhammad; Et Al
  参考文献:Turkish Journal Of Chemistry 日期:2018 卷标:42(1) 页码:63-74]
  
  = 953-26-4
  反应条件:1.1 Reagents: Glycerol,Sodium Acetate Catalysts: Dopamine (Fe3O4 Functionalized),Iron Oxide (Fe3O4),Palladium Solvents: Water; 5 H,Rt -> Reflux
  标题:Magnetically Separable Fe3O4@dopa-Pd: A Heterogeneous Catalyst For Aqueous Heck Reaction
  作者:Nasir Baig,R. B.; Leazer,John; Varma,Rajender S.
  参考文献:Clean Technologies And Environmental Policy 日期:2015 卷标:17(7) 页码:2073-2077]
  
  555-16-8 + 105-39-5 = 953-26-4
  反应条件:1.1 Reagents: Sodium Bicarbonate,Triphenylphosphine Solvents: Water; 2 H,60 °C; 60 °C -> Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Ph 4 - 5
  标题:Synthesis Of 5-Aryl-Substituted-3-Hydroxy-Isoxazoles
  作者:Li,Yang; Huang,Xiang; Chen,Da; Gong,Zhanqiang; Ju,Xiulian
  参考文献:Wuhan Gongcheng Daxue Xuebao 日期:2011 卷标:33(5) 页码:18-21

海关参考信息

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