CAS: 838-57-3; Ethyl 3-Oxo-3-(4-Nitrophenyl)Propanoate

该化合物是一种有机化合物,其特性为酯性功能组,其特性为硝基组,附于苯并酰胺,有助于其化学反应和特性;该化合物一般是黄色的黄色液体,具有甜,果味的香味;在乙醇和乙醚等有机溶剂中可溶解,但因其缺水性,水中的溶解性有限;乙酰(4-硝基苯基)乙酸酯经常用于有机合成,并用作各种药品和农用化学品生产的中间体;其结构允许参与核生殖器替代反应,使其在合成化学中具有价值;此外,硝基组的存在会影响化合物的电子特性,可能影响其再活性和与其他化学物种的相互作用;在处理该化合物时,应注意安全防范措施,因为如果浸泡或吸入,可能会对健康造成危害.

结构式图片

物理性质

MSDS等安全信息

欧盟法规

ECHA物质C&L通报REACH预注册

上下游产品

CAS号623-73-4 重氮乙酸乙酯 | CAS号555-16-8 对硝基苯甲醛 | CAS号99-77-4 对硝基苯甲酸乙酯 | CAS号141-78-6 乙酸乙酯 | CAS号100-19-6 对硝基苯乙酮 | CAS号105-58-8 碳酸二乙酯 | CAS号6148-64-7 丙二酸单乙酯钾盐 | CAS号82102-37-2 9-Methylfluoren... | CAS号586-78-7 对溴硝基苯 | CAS号141-97-9 乙酰乙酸乙酯 | CAS号106098-23-1 (Z)-3-氯-3-(4-硝基... | CAS号142977-79-5 4-(3-pyridin-4-... | CAS号188182-64-1 1-甲基-3-(4-硝基苯基)... | CAS号100-19-6 对硝基苯乙酮 | CAS号99-77-4 对硝基苯甲酸乙酯 | CAS号99-81-0 2-溴-4'-硝基苯乙酮 | CAS号35487-11-7 3-ethyl-5-(4-ni... | CAS号34320-83-7 TCS PrP Inhibitor 13 | CAS号15118-49-7 Benzenebutanoic... | CAS号134250-58-1 1-(4-nitropheny...

合成工艺路线路线简述

  • 100-19-6 = 838-57-3
    反应条件:1.1 Reagents: Sodium Hydride Solvents: Toluene; 0.5 H,Reflux; Reflux -> Rt1.2 Reagents: Acetic Acid; Rt
    标题:Cu-Mediated Expeditious Annulation Of Alkyl 3-Aminoacrylates With Aryldiazonium Salts: Access To Alkyl N2-Aryl 1,2,3-Triazole-Carboxylates For Druglike Molecular Synthesis
    作者:Liu,Hao-Nan; Et Al
    参考文献:Organic Letters 日期:2020 卷标:22(4) 页码:1396-1401]

    555-16-8 = 838-57-3
    反应条件:1.1 Catalysts: Iodine Solvents: Water; 30 Min,Rt1.2 Reagents: Sodium Thiosulfate Solvents: Water; Rt
    标题:Iodine-Catalyzed Efficient Synthesis Of β-Keto Esters From Aldehydes And Ethyl Diazoacetate Under Solvent-Free Conditions
    作者:Wang,Hong-She; Et Al
    参考文献:Chemical Research In Chinese Universities 日期:2009 卷标:25(3) 页码:343-346]

    6148-64-7 + 82102-37-2 = 838-57-3
    反应条件:1.1 Reagents: Triethylamine,Methyldicyclohexylamine,Magnesium Chloride Catalysts: Dichloro[(1,2,5,6-η)-1,5-Cyclooctadiene]Palladium,Tri-Tert-Butylphosphonium Tetrafluoroborate,1,1′-(9,9-Dimethyl-9H-Xanthene-4,5-Diyl)Bis[1,1-Diphenylphosphine] Solvents: 1,4-Dioxane; 18 H,Rt -> 80 °C1.2 Reagents: Formic Acid
    标题:Access To β-Keto Esters By Palladium-Catalyzed Carbonylative Coupling Of Aryl Halides With Monoester Potassium Malonates
    作者:Korsager,Signe; Et Al
    参考文献:Angewandte Chemie 日期:2013 卷标:52(37) 页码:9763-9766]

    = 838-57-3
    反应条件:1.1 Reagents: Hydrogen Peroxide Solvents: Tetrahydrofuran,Water; 1 H,Rt; 2 H,50 °C
    标题:A Novel Synthetic Method For β-Keto Esters
    作者:Qian,Hao; Et Al
    参考文献:Journal Of Chemical Research 日期:2007 卷标:(3) 页码:160-161]

    112378-39-9 = 838-57-3
    反应条件:1.1 Solvents: Ethanol; 15 H,Rt -> 100 °C
    标题:Discovery Of Novel 4-Aryl-Thieno[1,4]Diazepin-2-One Derivatives Targeting Multiple Protein Kinases As Anticancer Agents
    作者:Lee,Junghun; Et Al
    参考文献:Bioorganic & Medicinal Chemistry 日期:2018 卷标:26(8) 页码:1628-1637]

    141-97-9 + 4231-71-4 = 838-57-3
    反应条件:1.1 Catalysts: Samarium,Iodine Solvents: Tetrahydrofuran; 1 H,Rt1.2 1 H,Reflux1.3 Reagents: Hydrochloric Acid Solvents: Water
    标题:Substitution Of Acyl For Acetyl With N-Acylbenzotriazoles Catalyzed By Samarium Triiodide
    作者:Zou,Xuefei; Et Al
    参考文献:Synthetic Communications 日期:2007 卷标:37(10) 页码:1617-1625]

    106353-52-0 = 838-57-3
    反应条件:1.1 Reagents: Trifluoroacetic Acid Solvents: Ethanol
    标题:Enamines. Part 44. 2-Acyl-1,1-Diamino-Ethenes. A New Source Of Methylketones,β-Keto Amides And β-Keto Esters
    作者:Armati,Antonella; Et Al
    参考文献:Synthesis 日期:1986 卷标:(7) 页码:573-6]

    6925-97-9 = 838-57-3
    反应条件:1.1 Reagents: Oxygen Catalysts: Molybdenum Chloride Oxide (Mocl2O2),(T-4)-,Cupric Perchlorate Solvents: Toluene; 240 Min,Reflux
    标题:Molybdenum(Vi) Dichloride Dioxide/copper(Ii) Perchlorate: An Efficient Bimetallic Catalyst For Aerobic Oxidation Of Alcohols
    作者:Jeyakumar,Kandasamy; Et Al
    参考文献:Open Catalysis Journal 日期:2008 卷标:1 页码:6-10]

    940401-86-5 = 838-57-3
    反应条件:1.1 Reagents: Lithium Bis(Trimethylsilyl)Amide Solvents: Tetrahydrofuran; 2 H,25 °C
    标题:Amide/ester Cross-Coupling Via C-N/c-H Bond Cleavage: Synthesis Of β-Ketoesters
    作者:Chen,Jiajia; Et Al
    参考文献:Journal Of Organic Chemistry 日期:2021 卷标:86(8) 页码:5943-5953]

    141-97-9 = 838-57-3
    反应条件:1.1 Reagents: Ammonium Hydroxide,Sodium,Ammonium Chloride Solvents: Diethyl Ether,Water
    标题:Alkylation And Cyclization Of Benzoylacetanilides
    作者:Searles,A. Langley; Et Al
    参考文献:Journal Of The American Chemical Society 日期:1958 卷标:80 页码:3656-63]

    141-97-9 = 838-57-3
    反应条件:1.1 Reagents: Sodium Ethoxide Solvents: Ethanol; -10 °C; 1 - 2 H,Rt1.2 Solvents: Tetrahydrofuran; -10 °C; 4 - 5 H,Rt
    标题:Synthesis And Evaluation Of The α-Glucosidase Inhibitory Activity Of 3-[4-(Phenylsulfonamido)Benzoyl]-2H-1-Benzopyran-2-One Derivatives
    作者:Wang,Shaojie; Et Al
    参考文献:European Journal Of Medicinal Chemistry 日期:2010 卷标:45(3) 页码:1250-1255]

    141-97-9 = 838-57-3
    反应条件:1.1 Reagents: Sodium Solvents: Ethanol,Tetrahydrofuran; 0 °C; 0 °C; 12 H,Reflux1.2 Reagents: Hydrochloric Acid Solvents: Toluene,Water; Ph 1 - 2
    标题:One-Pot Synthesis Of β-Keto Esters And Preparation Of 3-Ketopalmitoyl-Coa
    作者:Kosak,Urban; Et Al
    参考文献:Synlett 日期:2012 卷标:23(11) 页码:1609-1612]

    141-97-9 + 62-23-7 = 838-57-3 [标题:Reaction Conditions
    标题:Dioxopyrrolines. Xxvii. Syntheses Of 2-Aryl-3-Ethoxycarbonyl- δ2-Pyrroline-4,5-Diones
    作者:Sano,Takehiro; Et Al
    参考文献:Chemical & Pharmaceutical Bulletin 日期:1984 卷标:32(2) 页码:497-503]

    100-19-6 = 838-57-3
    反应条件:1.1 Reagents: Sodium Hydride Solvents: Toluene; Rt -> 110 °C1.2 Solvents: Toluene; 10 - 20 Min,110 °C; 110 °C -> Reflux; Reflux -> Rt1.3 Reagents: Acetic Acid; Rt
    标题:Electrochemical Oxidative Cyclization: Synthesis Of Polysubstituted Pyrrole From Enamines
    作者:Chen,Zhiwei; Et Al
    参考文献:European Journal Of Organic Chemistry 日期:2021 卷标:2021(6) 页码:951-955]

    100-19-6 = 838-57-3
    反应条件:1.1 Reagents: Sodium Hydride Solvents: Tetrahydrofuran; Overnight,Reflux
    标题:Dual Roles Of Bisphosphines And Epoxides: Rh-Catalyzed Highly Chemoselective And Diastereoselective (3 + 2) Transannulations Of 1,2,3-Thiadiazoles With Cyanoepoxides
    作者:Dong,Ziyang; Et Al
    参考文献:Organic Chemistry Frontiers 日期:2021 卷标:8(23) 页码:6687-6698]

    555-16-8 = 838-57-3
    反应条件:1.1 Catalysts: Molybdenum Chloride Oxide (Mocl2O2),(T-4)- Solvents: Dichloromethane; 2 H,30 °C
    标题:Molybdenum(Vi) Dichloride Dioxide Catalyzed Synthesis Of β-Keto Esters By C-H Insertion Of Ethyl Diazoacetate Into Aldehydes
    作者:Jeyakumar,Kandasamy; Et Al
    参考文献:Synthesis 日期:2008 卷标:(11) 页码:1685-1687]

    555-16-8 = 838-57-3
    反应条件:1.1 Catalysts: Montmorillonite ((Al1.33-1.67Mg0.33-0.67)(Ca0-1Na0-1)0.33Si4(Oh)2O10.Xh2O) Solvents: Pentane
    标题:Montmorillonite K-10 Catalyzed Synthesis Of β-Keto Esters: Condensation Of Ethyl Diazoacetate With Aldehydes Under Mild Conditions
    作者:Bandgar,B. P.; Et Al
    参考文献:Green Chemistry 日期:2001 卷标:3(5) 页码:247-249]

    112378-39-9 = 838-57-3
    反应条件:1.1 Solvents: Ethanol; 5 Min
    标题:Microwave Assisted Rapid And Efficient Synthesis Of Aryl Methyl Ketones And β-Keto Esters Using Meldrum'S Acid
    作者:More,D. H.; Et Al
    参考文献:Indian Journal Of Chemistry 日期:2006 卷标:(3) 页码:823-825]

    99-77-4 = 838-57-3
    反应条件:1.1 Reagents: Isopropylcyclohexylamine Solvents: Tetrahydrofuran1.2 Reagents: Butyllithium1.3 -1.4 Reagents: Hydrochloric Acid Solvents: Water
    标题:High-Temperature Rearrangements Of 2-Acylisoxazol-5(2H)-Ones And Related Oxazoles
    作者:Clark,Adrian D.; Et Al
    参考文献:Australian Journal Of Chemistry 日期:1999 卷标:52(11) 页码:1029-1033]

    555-16-8 = 838-57-3
    反应条件:1.1 Catalysts: Tungstate(3-),Tetracosa-μ-Oxododecaoxo[μ12-[phosphato(3-)-Ko:Ko:Ko:Ko′:Ko′:Ko′:... Solvents: Dichloromethane; 3.5 H,Rt
    标题:The Silver Salt Of 12-Tungstophosphoric Acid. A Mild And Selective Catalyst For The Synthesis Of β-Ketoesters Via C-H Insertion
    作者:Yadav,J. S.; Et Al
    参考文献:Catalysis Communications 日期:2008 卷标:9(14) 页码:2361-2364]

    = 838-57-3
    反应条件:1.1 Reagents: P-Toluenesulfonic Acid Solvents: Toluene; 3 - 7 H,70 °C
    标题:A Metal-Free Strategy For The Cross-Dehydrogenative Coupling Of 1,3-Dicarbonyl Compounds With 2-Methoxyethanol
    作者:Kudale,Vishal Suresh; Et Al
    参考文献:Organic & Biomolecular Chemistry 日期:2022 卷标:20(6) 页码:1226-1230]

    10364-96-2 = 838-57-3
    反应条件:1.1 Solvents: Tetrahydrofuran
    标题:New Synthesis Of β-Oxo Esters,Of The Formula Rcoch2Co2Et,From Ethyl Acid Malonate
    作者:Bram,Georges; Et Al
    参考文献:Bulletin De La Societe Chimique De France 日期:1964 卷标:(5) 页码:945-51]

    555-16-8 = 838-57-3
    反应条件:1.1 Solvents: Diethyl Ether,Tetrahydrofuran; -78 °C; 1 H,-78 °C; -78 °C -> 0 °C1.2 Reagents: Dess-Martin Periodinane; 10 Min,0 °C; 0 °C -> Rt; 6 - 8 H,Rt1.3 Reagents: Lithium Bis(Trimethylsilyl)Amide Solvents: Tetrahydrofuran; -78 °C; 20 Min,-78 °C1.4 2 - 3 H,-78 °C; -78 °C -> 0 °C1.5 Reagents: Ammonium Chloride Solvents: Water
    标题:A Hammett Study Of Clostridium Acetobutylicum Alcohol Dehydrogenase (Caadh): An Enzyme With Remarkable Substrate Promiscuity And Utility For Organic Synthesis
    作者:Kudalkar,Gaurav P.; Et Al
    参考文献:Synlett 日期:2020 卷标:31(3) 页码:237-247]

    52898-51-8 = 838-57-3
    反应条件:1.1 Reagents: Lithium Diisopropylamide Solvents: Tetrahydrofuran; 30 Min,-78 °C1.2 1 H,-78 °C1.3 Reagents: Sodium Bicarbonate Solvents: Water; Rt
    标题:Annulation-Retro-Claisen Cascade Of Bifunctional Peroxides For The Synthesis Of Lactone Natural Products
    作者:Xu,Qianlan; Et Al
    参考文献:Chemical Communications (Cambridge 日期:2022 卷标:58(2) 页码:274-277]

    110175-83-2 = 838-57-3
    反应条件:1.1 Solvents: Tetrahydrofuran
    标题:New Synthesis Of β-Oxo Esters,Of The Formula Rcoch2Co2Et,From Ethyl Acid Malonate
    作者:Bram,Georges; Et Al
    参考文献:Bulletin De La Societe Chimique De France 日期:1964 卷标:(5) 页码:945-51]

    6148-64-7 + 100-19-6 = 838-57-3
    反应条件:1.1 Reagents: 1,1′-Carbonyldiimidazole Solvents: Tetrahydrofuran; 4 H,Rt1.2 Reagents: Triethylamine,Magnesium Chloride Solvents: Acetonitrile,Tetrahydrofuran; 6 H,Rt; 16 H,Rt1.3 Reagents: Hydrochloric Acid Solvents: Water; Rt
    标题:Er(Otf)3-Catalyzed Synthesis Of Fluorescent 7-Aminocoumarins
    作者:Bao,Xiaobo; Et Al
    参考文献:Tetrahedron 日期:2022 卷标:123
2,2-Dimethyl-5-(4-Nitrobenzoyl)-1,3-Dioxane-4,6-Dione 以 乙醇 作为反应溶剂,化学反应 15.0H,以83%的收率获得产物对硝基苯甲酰醋酸乙酯
参考文献:发现靶向多种蛋白激酶的新型4-芳基-噻吩并[1,4]二氮杂-2-酮衍生物作为抗癌剂.
标题:发现靶向多种蛋白激酶的新型4-芳基-噻吩并[1,4]二氮杂-2-酮衍生物作为抗癌剂.
摘要:合成了一系列4-芳基-噻吩并[1,4]二氮杂-2--2-酮,并评估了它们对a375P黑色素瘤和u937造血细胞系的抗增殖活性.几种化合物对两种细胞系均表现出非常强的抗增殖活性,其活性优于参考标准索拉非尼.制备了具有各种疏水性部分的酰胺(8A-8I,9A-9M)和尿素(10A-10D,11A-11D).最有效的抑制剂10D之一,1-(4-((4-乙基哌嗪-1-基)甲基)-3-(三氟甲基)苯基)-3-(4-(2-氧代-2,3-二氢-发现1H-噻吩并[3,4-B] [1,4]二氮杂pin-4-基)苯基)脲是包括fms激酶在内的多种蛋白激酶的强效抑制剂(ic50 = 3.73 Nm),是一种有前途的候选药物用于癌症治疗的进一步发展.
DOI:10.1016/j.Bmc.2018.02.009

海关参考信息

专利信息


专利号:US-10849901-B2
优先权日:2014-05-27
标题 :Arf6 inhibitors and methods of synthesis and use thereof
发明人：OSTANIN KIRILL; SHENDEROVICH MARK; BAJJI ASHOK; CIOFFI CHRISTOPHER L; MOSS NEIL; VANKAYALAPATI HARIPRASAD; LI DEAN
权利人:NAVIGEN INC; THE UNIV OF UTAH RESEARCH FOUNCATION; THE UNIV OF UTAH RESEARCH FOUNDATION
摘要:Disclosed herein are compounds and methods for inhibiting Arf6. Pharmaceutical compositions and methods for treating a subject with an inhibitor of Arf6 are also disclosed herein.

专利号:EP-1509491-B1
优先权日:2002-05-31
标 题:Intermediate products, methods for their preparation and use thereof
发明人：WESTMAN JACOB; LUNDIN RONNY
权利人:PERSONAL CHEMISTRY I UPPSALA
摘要:Novel solid supported intermediate products of the general formula coupled to a solid polymeric support through one or both of the R<1> groups or through the R<4> group which are suitable for synthesis of heterocyclic compounds are disclosed. Methods for preparing such intermediate products are also disclosed and also the use of the intermediate products in simple and fast methods on solid phase for synthesis of heterocycles.

专利号:US-7019094-B2
优先权日:2002-05-31
标 题:Intermediate products, methods for their preparation and use thereof
发明人：WESTMAN JACOB; LUNDIN RONNY
权利人:BIOTAGE AB
摘要:Novel solid supported intermediate products of the general formula n ncoupled to a solid polymeric support through one or both of the R 1 groups or through the R 4 group which are suitable for synthesis of heterocyclic compounds are disclosed. Methods for preparing such intermediate products are also disclosed and also the use of the intermediate products in simple and fast methods on solid phase for synthesis of heterocycles.

专利号:CN-101429083-A
优先权日:2008-09-08
标 题:Method for rapid synthesis of α,α-dichloroketones

专利号:US-5274162-A
优先权日:1991-12-13
标 题:Antineoplastic drugs with bipolar toxification/detoxification functionalities
发明人：GLAZIER ARNOLD
权利人:GLAZIER ARNOLD
摘要:The composition, methods of synthesis, and applications of a new class of tumor selective antineoplastic drugs is described. These novel antineoplastic agents are of the general structure: A-C-B. The agents are designed with two key functionalities: a trigger which toxifies the drug; (A) and a deactivator which detoxifies the drug (B) The trigger is selected such that it is activated by an enzyme which is present in elevated levels in the tumor. The deactivator is selected such that it is actuated by an enzyme ubiquitous to all tissues. The fate of the drug in a given cell is then determined by the ratio of the enzymatic activity that triggers toxication to the enzymatic activity which detoxifies the drug. The partitioning of the drug between toxic metabolite and nontoxic metabolite defines the resulting specificity of cytotoxic effect. The application of this invention is exemplified by a new class of antineoplastic drugs which are designed to be selectively toxic for tumor cells bearing the enzyme guanidinobenzoatase.

专利号:US-2017189405-A1
优先权日:2014-05-27
标题 :Arf6 inhibitors and methods of synthesis and use thereof

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合成参考文献


摘要:Pilgrim, B. S.; Tucker, M. J., Science of Synthesis Knowledge Updates, (2019) 1, 200.
摘要:Zhdankin, V. V., Science of Synthesis Knowledge Updates, (2015) 1, 265.
摘要:Matsunami, A.; Kayaki, Y.; Ikariya, T., Science of Synthesis: Catalytic Reduction in Organic Synthesis, (2018) 2, 72.
摘要:Gigiena i Sanitariya. For English translation, see HYSAAV., 51(1)(79), 1986
摘要:B. A. Ershov, A. V. Popova and E. E. Emelina, J. Org. Chem. USSR (Engl. Transl.) 6, 1148 (1970).
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