CAS: 94-25-7; Butyl 4-Aminobenzoate

• 英文名称Butyl 4-Aminobenzoate
• 中文名称对氨基苯甲酸丁酯
• IUPAC名称butyl 4-aminobenzoate
• 其它别名对氨基苯甲酸丁酯; 氨苯丁酯; 4-氨基苯甲酸丁酯; Butyl 4-Aminobenzoate
• CAS编号94-25-7
• MFCD编号:MFCD00017112
• EINECS号:202-317-1
• FDA UNII编号:EFW857872Q
• 分子式:C11H15NO2
• 分子量:193.24
• 产品CID: 1992096
• 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: IUWVALYLNVXWKX-UHFFFAOYSA-N
• InChI=1S/C11H15NO2/c1-2-3-8-14-11(13)9-4-6-10(12)7-5-9/h4-7H,2-3,8,12H2,1H3…
• 计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数4.0

物理性质

• 熔点57-58°C
• 沸点325.7±0.0 °C at 760 mmHg
• 闪点184.6±17.9 °C
• 密度1.1±0.1 g/cm3
• pKa:pKa 5.38 (Uncertain)
• PSA:52.32
• LogP:2.2257
• 折射率1.540
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性Chloroform (Slightly), Methanol (Slightly)
• 敏感性光敏感
• 外观形态白色固体
• 储存条件请置于阴暗处, 惰性气氛中,室温
• 产品应用有机合成中间体.
• 性质描述白色结晶性粉末.熔点57-59°C,沸点174°C(1.06kPa)溶于稀酸,醇,氯仿,醚及脂肪油类,几乎不溶于水.与水煮沸能缓慢分解.

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
  皮肤致敏 类别1
  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.
  H317 |可能引起皮肤过敏反应.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明26-36/37-36
• 危险类别码36/37/38-43
• WGK Germany3

欧盟法规

上下游产品

合成工艺路线路线简述

• 120-48-9 = 94-25-7
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium,Av 17X8 Solvents: 1-Butanol; 5 - 300 Min,1 Atm,40 °C
  标题:Hydrogenation Of Aromatic Nitro Compounds On Palladium-Containing Anion-Exchange Resins
  作者:Abdullaev,M. G.; Gebekova,Z. G.
  参考文献:Petroleum Chemistry 日期:2016 卷标:56(2) 页码:146-150]
  
  24537-25-5 + 71-36-3 = 94-25-7
  反应条件:1.1 Reagents: Ammonia Solvents: 1-Butanol
  标题:Sulfinylaminobenzoyl And P-Aminophenylacetyl Chlorides As Convenient Acylating Agents
  作者:Sharanin,Yu. A.; Bratchikova,N. G.; Lopatinskaya,Kh. Ya.; Pashchenko,A. V.; Potapenko,V. I.
  参考文献:1975]
  
  120-48-9 = 94-25-7
  反应条件:1.1 Reagents: Potassium Tert-Butoxide Catalysts: Ruthenium Trichloride Solvents: Methanol; 48 H,130 °C
  标题:Simple Rucl3-Catalyzed N-Methylation Of Amines And Transfer Hydrogenation Of Nitroarenes Using Methanol
  作者:Sarki,Naina; Goyal,Vishakha; Tyagi,Nitin Kumar; Puttaswamy; Narani,Anand; Et Al
  参考文献:Chemcatchem 日期:2021 卷标:13(7) 页码:1722-1729]
  
  150-13-0 = 94-25-7
  反应条件:1.1 Reagents: Triethylamine Solvents: 1-Butyl-3-Methylimidazolium Hexafluorophosphate; 1 H,90 °C
  标题:Ionic Liquids As Solvent For Efficient Esterification Of Carboxylic Acids With Alkyl Halides
  作者:Gok,Yetkin; Alici,Bulent; Cetinkaya,Engin; Ozdemir,Ismail; Ozeroglu,Ozlem
  参考文献:Turkish Journal Of Chemistry 日期:2010 卷标:34(2) 页码:187-191]
  
  150-13-0 + 71-36-3 = 94-25-7
  反应条件:1.1 Reagents: Thionyl Chloride Solvents: 1-Propanol; 4 - 10 H,65 °C1.2 Reagents: Water; 30 Min,Rt1.3 Reagents: Sodium Bicarbonate Solvents: Water; 45 Min,Rt
  标题:Synthesis And Cytotoxicity Of Some D-Mannose Click Conjugates With Aminobenzoic Acid Derivatives
  作者:Hradilova,Ludmila; Polakova,Monika; Dvorakova,Barbora; Hajduch,Marian; Petrus,Ladislav
  参考文献:Carbohydrate Research 日期:2012 卷标:361 页码:1-6]
  
  150-13-0 + 71-36-3 = 94-25-7
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: 1-Butanol; Rt; Reflux
  标题:Chain-Growth Polycondensation Via The Substituent Effect: Investigation Of The Monomer Structure On Synthesis Of Poly(N-Octyl-Benzamide)
  作者:Prehn,Frederick C. Jr; Etz,Brian D.; Reese,Caleb J.; Vyas,Shubham; Boyes,Stephen G.
  参考文献:Journal Of Polymer Science (Hoboken 日期:2020 卷标:58(17) 页码:2389-2406]
  
  120-48-9 = 94-25-7
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Ethanol; 1 H,40 Psi,Rt
  标题:Binding And Transport Properties Of A Benzo[b]Thiophene-Based Mono-(Thio)Urea Library
  作者:Moiteiro,Cristina; Marques,Igor; Ryder,William G.; Cachatra,Vasco; Carvalho,Silvia; Et Al
  参考文献:European Journal Of Organic Chemistry 日期:2022 卷标:2022(3)]
  
  120-48-9 = 94-25-7
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium; 2 H,75 - 80 °C
  标题:Method Of Preparation Of Alkyl P-Aminobenzoate
  参考文献:China]
  
  120-48-9 = 94-25-7
  反应条件:1.1 Reagents: Hydrogen Catalysts: Iron Oxide (Fe2O3) (Lignin Residue-Derived Carbon-Supported) Solvents: Tetrahydrofuran,Water; 18 H,35 Bar,120 °C
  标题:Lignin Residue-Derived Carbon-Supported Nanoscale Iron Catalyst For The Selective Hydrogenation Of Nitroarenes And Aromatic Aldehydes
  作者:Sarki,Naina; Kumar,Raju; Singh,Baint; Ray,Anjan; Naik,Ganesh; Et Al
  参考文献:Acs Omega 日期:2022 卷标:7(23) 页码:19804-19815]
  
  150-13-0 = 94-25-7
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; 5 Min,155 °C; 155 °C -> Rt1.2 2 H,75 °C
  标题:The Synthesis Of [1,2,3]-Triazole-Based Bent Core Liquid Crystals Via Microwave-Mediated 'Click Reaction' And Their Mesomorphic Behaviour
  作者:Wang,Kunlun; Sprunt,Samuel; Twieg,Robert J.
  参考文献:Liquid Crystals 日期:2019 卷标:46(2) 页码:257-271]
  
  120-48-9 = 94-25-7
  反应条件:1.1 Reagents: Ammonium Formate Catalysts: Palladium Solvents: Ethanol; 2 H,Rt
  标题:Application Of Pd/c-Hcoonh4 Reductive System In Synthesis Of Benzocaine And Its Analogues
  作者:Zhang,Li; Jin,Xiao-Ping; Gao,Hao-Qi; Fang,Jiang-Hua; Li,Rui-Feng; Et Al
  参考文献:Ningbo Daxue Xuebao 日期:2013 卷标:26(4) 页码:61-64]
  
  120-48-9 = 94-25-7
  反应条件:1.1 Reagents: Hydrogen Catalysts: Ruthenium (Pine Needle-Derived Char Supported) Solvents: Water; 24 H,10 Bar,80 °C
  标题:Biorenewable Carbon-Supported Ru Catalyst For N-Alkylation Of Amines With Alcohols And Selective Hydrogenation Of Nitroarenes
  作者:Goyal,Vishakha; Sarki,Naina; Poddar,Mukesh Kumar; Narani,Anand; Tripathi,Deependra; Et Al
  参考文献:New Journal Of Chemistry 日期:2021 卷标:45(32) 页码:14687-14694]
  
  120-48-9 = 94-25-7
  反应条件:1.1 Reagents: Phenylsilane Catalysts: Sodium Amalgam,2867633-05-2; 3 H,100 °C
  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]
  
  62-23-7 + 71-36-3 = 94-25-7
  反应条件:1.1 Reagents: Hydrogen Catalysts: Iron Solvents: Acetonitrile; 150 °C
  标题:Multi-Functional Fe-Al0.66Dtp/mcf Catalyst In Cascade Engineered Synthesis Of The Drug Butamben: Novelty Of Catalyst,Reaction Kinetics And Mechanism
  作者:Wagh,Dipti P.; Yadav,Ganapati D.
  参考文献:Molecular Catalysis 日期:2020 卷标:483]
  
  150-13-0 + 71-36-3 = 94-25-7
  反应条件:1.1 Catalysts: Thionyl Chloride; Cooled; Reflux1.2 Reagents: Sodium Carbonate Solvents: Water; Ph 7 - 8
  标题:Study On The Facile Synthesis Of Alkyl 4-Aminobenzoate
  作者:Xiong,Yang; Xia,Ke-Xue; Yang,Long; Li,Sheng; Tian,Hui-Hui; Et Al
  参考文献:Xinan Daxue Xuebao 日期:2013 卷标:35(9) 页码:74-79]
  
  13939-06-5 + 540-37-4 + 71-36-3 = 94-25-7
  反应条件:1.1 Reagents: Diisopropylethylamine Catalysts: Di-μ-Chlorobis[5-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl...; 12 Min,130 °C
  标题:Expedient Carbonylation Of Aryl Halides In Aqueous Or Neat Condition
  作者:Ang,Wei Jie; Lo,Lee-Chiang; Lam,Yulin
  参考文献:Tetrahedron 日期:2014 卷标:70(45) 页码:8545-8558]
  
  150-13-0 + 71-36-3 = 94-25-7
  反应条件:1.1 Rt -> 50 °C1.2 Reagents: Thionyl Chloride; 4 H,50 - 55 °C; 55 °C -> 119 °C; 5 H,117 - 119 °C1.3 Reagents: Sodium Carbonate Solvents: Water; Ph 7 - 8
  标题:Process For Preparation Of P-Aminobenzoic Acid Ethyl Ester
  参考文献:China]
  
  10210-68-1 + 71-36-3 = 94-25-7
  反应条件:1.1 Reagents: Potassium Acetate Catalysts: Palladium Diacetate,Ferrocene,1-[(1S)-1-[bis(1,1-Dimethylethyl)Phosphino]Ethyl]-2-(Di-1-Naphthaleny...; 12 H,80 °C
  标题:Room Temperature Carbonylation Of (Hetero) Aryl Pentafluorobenzenesulfonates And Triflates Using Palladium-Cobalt Bimetallic Catalyst: Dual Role Of Cobalt Carbonyl
  作者:Joseph,Jayan T.; Sajith,Ayyiliath M.; Ningegowda,Revanna C.; Shashikanth,Sheena
  参考文献:Advanced Synthesis & Catalysis 日期:2017 卷标:359(3) 页码:419-425]
  
  150-13-0 + 71-36-3 = 94-25-7
  反应条件:1.1 Catalysts: Sulfuric Acid Solvents: Water; Cooled; 5 Min,Cooled; 7 H,Reflux; Cooled1.2 Reagents: Sodium Carbonate Solvents: Water; Neutralized
  标题:Direct Esterification Of Higher Alkyl Alcohols With P-Aminobenzoic Acid
  作者:Liu,Yu-Rong; Hu,Zhi-Guo
  参考文献:Henan Shifan Daxue Xuebao 日期:2008 卷标:36(5) 页码:174-175]
  
  150-13-0 + 71-36-3 = 94-25-7
  反应条件:1.1 Reagents: Phosphorus Oxychloride Solvents: 1-Butanol; Cooled; 2 H,Rt1.2 Reagents: Water; Cooled
  标题:An Efficient And Practical Protocol For The Esterification Of Aromatic Carboxylic Acids With Alcohols In Presence Of Pocl3
  作者:Patila,Prashant; Chaskar,Atul
  参考文献:Pharma Chemica 日期:2014 卷标:6(5) 页码:365-369

海关参考信息

• 2905121000-正丙醇
  2905130000-正丁醇
  2906210000-苄醇
  2912110000-甲醛
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