CAS: 94-32-6; Ethyl 4-(Butylamino)Benzoate

• 英文名称Ethyl 4-(Butylamino)Benzoate
• 中文名称对丁氨基苯甲酸乙酯
• IUPAC名称ethyl 4-(butylamino)benzoate
• 其它别名Ethyl p-butylaminobenzoate
• CAS编号94-32-6
• MFCD编号:MFCD00017283
• EINECS号:202-322-9
• FDA UNII编号:D68EP3V31W
• 分子式:C13H19NO2
• 分子量:221.3
• 产品CID: 1993276
• 产品分类医药中间体

• 相似结构搜索
• InChIKey: GTXRSQYDLPYYNW-UHFFFAOYSA-N
• InChI=1S/C13H19NO2/c1-3-5-10-14-12-8-6-11(7-9-12)13(15)16-4-2/h6-9,14H,3-5,10H2,1-2H3…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数7.0

物理性质

• 熔点68-70  °C(文献)
• 沸点338.4±25.0 °C at 760 mmHg
• 闪点158.4±23.2 °C
• 密度1.0±0.1 g/cm3
• pKa:2.61±0.32(预测)
• PSA:38.33
• LogP:4.29
• 折射率1.534
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性DMSO (Slightly), Methanol (Slightly)
• 外观形态白色至类白色固体
• 储存条件置于阴暗处,密封, 常温干燥保存
• 产品应用丁卡因的中间体.
• 性质描述结晶化合物.沸点220°C,熔点68-70°C

MSDS等安全信息

• GHS符号GHS07
• 警示词Warning
• 危险描述H302-H315-H319-H335
• 防范说明P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
• UN编号NONH for all modes of transport
• 安全声明24/25
• WGK Germany3

上下游产品

合成工艺路线路线简述

• 合成目标产物 Ethyl 4-(Butylamino)Benzoate 主要起始原料 Butyraldehyde And Benzocaine
• 99-77-4 = 94-32-6
  反应条件:1.1 Reagents: Acetic Acid,Zinc Solvents: Methanol; 30 Min,Rt
  标题:Reductive N-Alkylation Of Nitroarenes: A Green Approach For The N-Alkylation Of Natural Products
  作者:Wahba,Amir E.; Hamann,Mark T.
  参考文献:Journal Of Organic Chemistry 日期:2012 卷标:77(10) 页码:4578-4585]
  
  71134-92-4 = 94-32-6
  反应条件:1.1 Reagents: Hydrogen Catalysts: P-Toluenesulfonic Acid,Boron Trifluoride Etherate,(Oc-6-33)-Carbonyl[1,1′-[2-[(Diphenylphosphino-Kp)Methyl]-2-Methyl-1,3-Propanedi... Solvents: Tetrahydrofuran; 20 H,50 Atm,120 °C
  标题:Boron Lewis Acid Promoted Ruthenium-Catalyzed Hydrogenation Of Amides: An Efficient Approach To Secondary Amines
  作者:Yuan,Ming-Lei; Xie,Jian-Hua; Zhou,Qi-Lin
  参考文献:Chemcatchem 日期:2016 卷标:8(19) 页码:3036-3040]
  
  17159-79-4 = 94-32-6
  反应条件:1.1 Reagents: Dabco Catalysts: Acetic Acid,(Oc-6-42)-Bis[[2,3-Butanedione 2,3-Di(Oximato-Kn)](1-)]Chloro(N,N-Dimethyl-4-Pyr...,Iridium(1+),[4,4′-Bis(1,1-Dimethylethyl)-2,2′-Bipyridine-Kn1,Kn1′]Bis[2-(2-Pyri... Solvents: Acetonitrile; 24 H,Rt
  标题:A Photochemical Dehydrogenative Strategy For Aniline Synthesis
  作者:U. Dighe,Shashikant; Julia,Fabio; Luridiana,Alberto; Douglas,James J.; Leonori,Daniele
  参考文献:Nature (London 日期:2020 卷标:584(7819) 页码:75-81]
  
  4740-24-3 = 94-32-6
  反应条件:1.1 Reagents: Sulfuric Acid; 4 H,Reflux
  标题:Folded-To-Unfolded Structural Switching Of A Macrocyclic Aromatic Hexaamide Based On Conformation Changes In The Amide Groups Induced By N-Alkylation And Dealkylation Reactions
  作者:Katagiri,Kosuke; Tohaya,Taichi; Shirai,Riwako; Kato,Takako; Masu,Hyuma; Et Al
  参考文献:Journal Of Molecular Structure 日期:2015 卷标:1082 页码:23-28]
  
  = 94-32-6
  反应条件:1.1 Solvents: 2,2,2-Trifluoroethanol; 5 Min,40 °C1.2 Reagents: Sodium Borohydride
  标题:Manganese-Catalyzed Chemoselective Hydrosilylation Of Nitroarenes: Sustainable Route To Aromatic Amines
  作者:Behera,Rakesh R.; Panda,Surajit; Ghosh,Rahul; Kumar,A. Ashis; Bagh,Bidraha
  参考文献:Organic Letters 日期:2022 卷标:24(50) 页码:9179-9183]
  
  99-77-4 = 94-32-6
  反应条件:1.1 Reagents: Ammonium Formate Catalysts: Palladium Solvents: Isopropanol,Water; 1 Min1.2 60 Min,Rt
  标题:One-Pot Reductive Mono-N-Alkylation Of Aniline And Nitroarene Derivatives Using Aldehydes
  作者:Byun,Eunyoung; Hong,Bomi; De Castro,Kathlia A.; Lim,Minkyung; Rhee,Hakjune
  参考文献:Journal Of Organic Chemistry 日期:2007 卷标:72(25) 页码:9815-9817]
  
  451-46-7 = 94-32-6
  反应条件:1.1 Reagents: Cesium Carbonate Solvents: Dimethylformamide; 20 H,110 °C1.2 Solvents: Water
  标题:Discovery Of A Benzenesulfonamide-Based Dual Inhibitor Of Microsomal Prostaglandin E2 Synthase-1 And 5-Lipoxygenase That Favorably Modulates Lipid Mediator Biosynthesis In Inflammation
  作者:Cheung,Sun-Yee; Werner,Markus; Esposito,Lucia; Troisi,Fabiana; Cantone,Vincenza; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2018 卷标:156 页码:815-830]
  
  = 94-32-6 [标题:Reaction Conditions
  标题:Preparation Method Of Tetracaine,And Its Application In Preparation Of Tetracaine Hydrochloride
  参考文献:China]
  
  = 94-32-6
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol; 12 H,6 Kg/cm2,55 °C
  标题:Method For Preparation Of Ethyl P-Butylaminobenzoate
  参考文献:China]
  
  = 94-32-6
  反应条件:1.1 Reagents: Potassium Iodide Solvents: Dimethylformamide; Rt
  标题:O-Phenylenediamine: A Privileged Pharmacophore Of Ferrostatins For Radical-Trapping Reactivity In Blocking Ferroptosis
  作者:Sheng,Xie-Huang; Cui,Cheng-Cheng; Shan,Chao; Li,Yu-Zhen; Sheng,Duo-Hong; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2018 卷标:16(21) 页码:3952-3960]
  
  = 94-32-6
  反应条件:1.1 Solvents: 2,2,2-Trifluoroethanol; 5 Min,40 °C1.2 Reagents: Sodium Borohydride; 16 H,40 °C
  标题:Cobalt Catalyzed Chemoselective Reduction Of Nitroarenes: Hydrosilylation Under Thermal And Photochemical Reaction Conditions
  作者:Panda,Surajit; Nanda,Amareshwar; Behera,Rakesh R.; Ghosh,Rahul; Bagh,Bidraha
  参考文献:Chemical Communications (Cambridge 日期:2023 卷标:59(30) 页码:4527-4530]
  
  = 94-32-6
  反应条件:1.1 Reagents: Carbon Monoxide Catalysts: Cobalt Dichloride Hexahydrate,Cesium Fluoride,Dirhodium Tetraacetate Solvents: Tetrahydrofuran,Water; 18 H,50 Bar,180 °C
  标题:Straightforward Access To High-Performance Organometallic Catalysts By Fluoride Activation: Proof Of Principle On Asymmetric Cyanation,Asymmetric Michael Addition,Co2 Addition To Epoxide,And Reductive Alkylation Of Amines By Tetrahydrofuran
  作者:Tsygankov,Alexey A.; Chusov,Denis
  参考文献:Acs Catalysis 日期:2021 卷标:11(21) 页码:13077-13084

海关参考信息

• 2906210000-苄醇
  2912110000-甲醛
  2912210000-苯甲醛
  2915110000-甲酸
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