CAS: 96-98-0; 4-Methyl-3-Nitrobenzoic Acid

该化合物是一种硝基替代芳烃式碳酸,配有分子式C8H7NO4,该化合物的特点是四级有一组甲基,与箱式酸功能相比,三级有一组硝基,是有机合成的多种中间体,特别是在制药,农用化学品和特殊化学品的制作方面. 硝基和盒式组提供了反应性场所,可以进一步功能化,在混合反应,减少和衍生过程中应用.其明确界定的结构和稳定性使其适合于用于需要精确芳香修改的研究和工业工艺.

结构式图片

欧盟法规

REACH注册ECHA物质C&L通报REACH预注册

上下游产品

CAS号99-94-5 对甲基苯甲酸 | CAS号104-85-8 对甲苯腈 | CAS号939-79-7 4-甲基-3-硝基氰苯 | CAS号99-87-6 4-异丙基甲苯 | CAS号444667-11-2 4-(羧基甲基)-3-硝基苯甲酸 | CAS号89-58-7 2,5-二甲基硝基苯 | CAS号79822-14-3 4-(4-methyl-3-n... | CAS号4957-14-6 二对甲苯基甲烷 | CAS号106-49-0 对甲苯胺 | CAS号76947-17-6 4,4'-dimethyl-3... | CAS号50820-65-0 吲哚-6-甲酸甲酯 | CAS号55715-03-2 4-溴甲基-3-硝基苯甲酸 | CAS号49592-71-4 4-甲基-3,5-二硝基苯甲酸甲酯 | CAS号31680-07-6 4-甲基-3-硝基苯甲醛 | CAS号350-28-7 3-氟-4-甲基苯甲酸 | CAS号147962-81-0 3-溴-4-甲基苯甲酸乙酯 | CAS号41191-92-8 3-氨基-4-甲基苯甲酸乙酯 | CAS号223519-08-2 3-溴-4-甲基-5-硝基苯甲酸甲酯 | CAS号223519-11-7 3-氨基-5溴-4-甲基苯甲酸甲酯 | CAS号303133-89-3 3-硝基-N-环丙基-4-甲基-苯甲酰胺

合成工艺路线路线简述

  • 99-94-5 = 96-98-0
    反应条件:1.1 Reagents: Phosphorus Pentoxide,Iron Nitrate (Fe(No3)3) Nonahydrate; 6 H
    标题:Nitration Of Deactivated Aromatic Compounds Via Mechanochemical Reaction
    作者:Wu,Jian-Wei; Zhang,Pu; Guo,Zhi-Xin
    参考文献:Tetrahedron Letters 日期:2021 卷标:72]

    99-94-5 = 96-98-0
    反应条件:1.1 Reagents: Ammonium Nitrate Solvents: Dichloromethane; 10 - 15 Min,Rt1.2 Reagents: Sulfuric Acid; 10 - 15 Min,0 °C; 4 - 5 H,Rt1.3 Reagents: Water; Rt
    标题:Synthesis And Characterization Of Quinazolinobenzodiazepine-Benzothiazole Hybrid Derivatives
    作者:Srinivas,B.; Devi,N. Saritha; Sreenivasulu,G. K.; Parameshwar,R.
    参考文献:Pharma Chemica 日期:2015 卷标:7(5) 页码:251-256]

    99-94-5 = 96-98-0
    反应条件:1.1 Reagents: Nitric Acid Catalysts: (Oc-6-11)-Tris[1,1,1-Trifluoro-N-[(Trifluoromethyl)Sulfonyl-Ko]Methanesulfonamid... Solvents: 1,2-Dichloroethane,Water
    标题:Counterion Effects In Indium-Catalysed Aromatic Electrophilic Substitution Reactions
    作者:Frost,Christopher G.; Hartley,Joseph P.; Griffin,David
    参考文献:Tetrahedron Letters 日期:2002 卷标:43(27) 页码:4789-4791]

    99-94-5 = 96-98-0
    反应条件:1.1 Reagents: Sulfuric Acid,Nitric Acid Solvents: Water; < 5 °C; 0.5 H,< 5 °C1.2 Reagents: Water; Cooled
    标题:Synthesis And Na+/h+ Exchanger 1 Inhibitory Activity Of Substituted Benzoylguanidine-Trimetazidine Conjugates
    作者:Du,Ping; Zhang,Di; Zhang,Guomin; Ren,Shujuan; Gong,Guoqing; Et Al
    参考文献:Zhongguo Yaoke Daxue Xuebao 日期:2011 卷标:42(1) 页码:22-28]

    = 96-98-0 [标题:Reaction Conditions
    标题:Orally Active Zwitterionic Factor Xa Inhibitors With Long Duration Of Action
    作者:Mochizuki,Akiyoshi; Nagata,Tsutomu; Kanno,Hideyuki; Takano,Daisuke; Kishida,Masamichi; Et Al
    参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2011 卷标:21(24) 页码:7337-7343]

    = 96-98-0 [标题:Reaction Conditions
    标题:Reactions Of Dimercaptomaleic Acid Derivatives. Vi. Oxidative Degradation Of 1-Benzoyl-1-Carboxy-3,6-Dithia-1-Cyclohexene Derivatives
    作者:Hahn,Witold E.; Wojciechowski,Lech
    参考文献:Lodzkie Towarzystwo Naukowe 日期:1967 卷标:(1967) 页码:61-8]

    89-58-7 = 96-98-0 + 27329-27-7 + 610-29-7
    反应条件:1.1 Reagents: Oxygen Catalysts: Manganese Diacetate,Cobalt Dibromide Solvents: Acetic Acid; 40 Min,0.4 Mpa,138 °C1.2 Reagents: Nitric Acid Solvents: Water; 3 H,0.12 Mpa,112 °C
    标题:Green Preparation Of Monosubstituted Methylbenzoic Acid And Monosubstituted Phthalic Acid
    参考文献:China]

    99-94-5 = 96-98-0
    反应条件:1.1 Reagents: Ammonium Nitrate Solvents: Dichloromethane; 10 Min1.2 Reagents: Sulfuric Acid; 0.25 H,0 °C; 2 - 5 H,Rt1.3 Reagents: Water; Cooled; Rt
    标题:Hybrids Of Privileged Structures Benzothiazoles And Pyrrolo[2,1-C][1,4]Benzodiazepin-5-One,And Diversity-Oriented Synthesis Of Benzothiazoles
    作者:Subhas Bose,D.; Idrees,Mohd.; Todewale,Ismail K.; Jakka,N. M.; Venkateswara Rao,J.
    参考文献:European Journal Of Medicinal Chemistry 日期:2012 卷标:50 页码:27-38]

    99-94-5 = 96-98-0
    反应条件:1.1 Reagents: Sulfuric Acid,Nitric Acid Solvents: Dichloromethane; 5 H
    标题:Facile Synthesis Of N-((Benzyl-1H-1,2,3-Triazol-5-Yl)Methyl)-4-(6-Methoxybenzo[d]Thiazol-2-Yl)-2-Nitrobenzamides Via Click Chemistry
    作者:Yarlagadda,Bharath; Devunuri,Nagaraj; Mandava,V. Basaveswara Rao
    参考文献:Journal Of Heterocyclic Chemistry 日期:2017 卷标:54(2) 页码:864-870]

    99-94-5 = 96-98-0
    反应条件:1.1 Reagents: Sulfuric Acid,Nitric Acid Solvents: Water; 10 Min,0 °C; 30 Min,0 °C1.2 Reagents: Sulfuric Acid; 45 Min,0 °C; 1 H,10 - 20 °C1.3 Reagents: Water; Cooled
    标题:Preparation Of Spirocyclic Amides As Bradykinin Receptor Modulators
    参考文献:World Intellectual Property Organization]

    99-94-5 = 96-98-0
    反应条件:1.1 Reagents: Potassium Nitrate
    标题:Nitration Of Some Substituted Aromatic Compounds With Potassium Nitrate In Polyphosphoric Acid
    作者:Iqbal,Rashid; Rama,Nasim Hasan; Haq,Muhammad Zia Ul; Madhwa,Farag Ali
    参考文献:Journal Of The Chemical Society Of Pakistan 日期:1997 卷标:19(2) 页码:141-144]

    99-94-5 = 96-98-0
    反应条件:1.1 Reagents: Sulfuric Acid,Nitric Acid; Heated
    标题:Synthesis And Evaluation Of Properties Of Poly(P-Phenylenevinylene) Based 1,3,4-Oxadiazole Systems For Optoelectronics And Nonlinear Optical Applications
    作者:Kaippamangalath,Nimisha; Gopalakrishnapanicker,Unnikrishnan
    参考文献:Polymer International 日期:2016 卷标:65(10) 页码:1221-1231]

    159583-82-1 = 96-98-0
    反应条件:1.1 Reagents: Sodium Hydroxide
    标题:Alkaline C-S Bond Cleavage Of Some (Arylthio)Methylbenzoates
    作者:El-Hegazy,Fatma El-Zahraa M.; El-Bardan,Ali A.; Hamed,Ezzat A.
    参考文献:Phosphorus 日期:1994 卷标:88(1-4) 页码:113-22]

    99-94-5 = 96-98-0
    反应条件:1.1 Reagents: Sulfuric Acid,Nitric Acid
    标题:Neurotropic And Psychotropic Agents. Cxii. Synthesis Of The 3-Hydroxy-4-Methyl Derivative Of Amphetamine
    作者:Valenta,V.; Protiva,M.
    参考文献:Collection Of Czechoslovak Chemical Communications 日期:1977 卷标:42(7) 页码:2240-5]

    = 96-98-0 [标题:Reaction Conditions
    标题:Synthesis Of Nitroaromatic Compounds As Potential Anticancer Agents
    作者:Lopes,Marcela Silva; Sena,Camila Filizzola De Andrade; Silva,Bruno Leonardo; De Souza,Cristina Maria; Ramos,Jonas Pereira; Et Al
    参考文献:Anti-Cancer Agents In Medicinal Chemistry 日期:2015 卷标:15(2) 页码:206-216]

    = 96-98-0 [标题:Reaction Conditions
    标题:Benzene Derivatives [(Tetrazolylbiphenylyl)-Substituted Benzoic Acid Morpholides And Analogs] For Treatment Of Kidney Disease,And Pharmaceutical Compositions Containing Them
    参考文献:European Patent Organization]

    = 96-98-0 [标题:Reaction Conditions
    标题:Nitration Of P-Toluic Acid
    作者:Gracheva,I. N.; Tochilkin,A. I.
    参考文献:Khimiko-Farmatsevticheskii Zhurnal 日期:1980 卷标:14(10)]

    = 96-98-0 [标题:Reaction Conditions
    标题:Plant Growth-Regulating 2-Methyl-3-Nitrobenzate Esters
    参考文献:Federal Republic Of Germany]

    99-94-5 = 96-98-0 + 65-85-0 + 619-66-9
    反应条件:1.1 Reagents: Ceric Ammonium Nitrate Solvents: Trifluoroacetic Acid,Water
    标题:Oxidation By Metal Salts. Iv. Cerium(Iv) Salt-Promoted Oxidative Halogenation Of Toluene And Para-Substituted Toluenes Containing Electron-Withdrawing Groups In Aqueous Trifluoroacetic Acid Solutions
    作者:Makhon'Kov,D. I.; Cheprakov,A. V.; Rodkin,M. A.; Mil'Chenko,A. Yu.; Beletskaya,I. P.
    参考文献:Zhurnal Organicheskoi Khimii 日期:1986 卷标:22(1) 页码:30-9]

    536-50-5 = 96-98-0 + 99-94-5 + 21443-49-2
    反应条件:1.1 Reagents: Phosphorus Pentoxide,Ferric Nitrate; 2 H,Rt
    标题:A Mechanochemical Domino Reaction: From α-Methylbenzyl Alcohols To Diacylfuroxans
    作者:Lu,Li-Yu; Zhang,Pu; Qin,Yu-Jun; Guo,Zhi-Xin
    参考文献:Results In Chemistry 日期:2022 卷标:4
对甲苯腈置于硫酸,水,硝酸体系中,化学反应生成 4-甲基-3-硝基苯甲酸
参考文献:Van Scherpenzeel,Recueil Des Travaux Chimiques Des Pays-Bas,1901,Vol. 20,P. 155
标题:Van Scherpenzeel,Recueil Des Travaux Chimiques Des Pays-Bas,1901,Vol. 20,P. 155

海关参考信息

专利信息


专利号:US-5369017-A
优先权日:1994-02-04
标题 :Process for solid phase glycopeptide synthesis
发明人:WONG CHI-HUEY; SCHUSTER MATTHIAS
权利人:SCRIPPS RESEARCH INST
摘要:A process for the synthesis of a glycopeptide using a solid phase matrix is disclosed. The matrix is compatible with aqueous and organic solvents and is comprised of a silica-based solid support to which is linked a two-part spacer group having a chain length of about 12 to about 40 methylene groups. The first part of the spacer is covalently bonded to the silica-based support and has a length of about 3 to about 10 methylene groups. The second spacer part is covalently bonded to the first part of the spacer and comprises the distal end of the two part spacer. The second part is soluble as a free molecule in each of water, dimethylformamide and dichloromethane and has a terminal amine or hydroxyl group to which the C-terminal residue of the peptide portion of the glycopeptide chain is bonded. The chain of atoms connecting the desired glycopeptide to the solid phase matrix also includes a moiety having a selectively severable bond which on cleavage of that bond separates the matrix from whatever else is bonded to that moiety.

专利号:US-5968736-A
优先权日:1992-10-01
标 题 :Methods for recording the reaction history of a solid support
发明人:STILL W CLARK; WIGLER MICHAEL H; OHLMEYER MICHAEL H J; DILLARD LAWRENCE W; READER JOHN C
权利人:COLD SPRING HARBOR LAB; UNIV COLUMBIA
摘要:Encoded combinatorial chemistry is provided, where sequential synthetic schemes are recorded using organic molecules, which define choice of reactant, and stage, as the same or different bit of information. Various products can be produced in the multi-stage synthesis, such as oligomers and synthetic non-repetitive organic molecules. Conveniently, nested families of compounds can be employed as identifiers, where number and/or position of a substituent define the choice. Alternatively, detectable functionalities may be employed, such as radioisotopes, fluorescers, halogens, and the like, where presence and ratios of two different groups can be used to define stage or choice. Particularly, pluralities of identifiers may be used to provide a binary or higher code, so as to define a plurality of choices with only a few detachable tags. The particles may be screened for a characteristic of interest, particularly binding affinity, where the products may be detached from the particle or retained on the particle. The reaction history of the particles which are positive for the characteristic can be determined by the release of the tags and analysis to define the reaction history of the particle.

专利号:US-9850345-B2
优先权日:2012-05-24
标题:Polycarbonate polyol compositions and methods
发明人:FARMER JAY J
权利人:SAUDI ARAMCO TECH CO
摘要:In one aspect, the present disclosure encompasses polymerization systems for the copolymerization of CO 2 and epoxides comprising 1) a catalyst including a metal coordination compound having a permanent ligand set and at least one ligand that is a polymerization initiator, and 2) a chain transfer agent having one or more sites capable of initiating copolymerization of epoxides and CO 2 , wherein the chain transfer agent contains one or more masked hydroxyl groups. In a second aspect, the present disclosure encompasses methods for the synthesis of polycarbonate polyols using the inventive polymerization systems. In a third aspect, the present disclosure encompasses polycarbonate polyol compositions characterized in that the polymer chains have a high percentage of —OH end groups, a high percentage of carbonate linkages, and substantially all polycarbonate chains having hydroxyl end groups have no embedded chain transfer agent.

专利号:US-9217012-B2
优先权日:2009-04-08
标题 :Inhibitors of protein tyrosine phosphatases
发明人:ZHANG ZHONG-YIN; ZHANG SHENG
权利人:ZHANG ZHONG-YIN; ZHANG SHENG; UNIV INDIANA RES & TECH CORP
摘要:Disclosed herein are compounds that selectively inhibit members of the PTP family of enzymes. Synthesized compounds demonstrated selective inhibition of TC-PTP. Also provided are methods of using the compounds and formulations containing the compounds. Also described is a fluorescence-tagged combinatorial library synthesis and screening method. And methods of using these compounds to effect enzyme activity both in cells and in vitro as well as method of using these compounds to treat diseases in human and animals.

专利号:US-6503759-B1
优先权日:1992-10-01
标题 :Complex combinatorial chemical libraries encoded with tags
发明人:STILL W CLARK; OHLMEYER MICHAEL H J; DILLARD LAWRENCE W; READER JOHN C; WIGLER MICHAEL H
权利人:UNIV COLUMBIA; COLD SPRING HARBOR LAB
摘要:Encoded combinatorial chemistry is provided, where sequential synthetic schemes are recorded using organic molecules, which define choice of reactant, and stage, as the same or different bit of information. Various products can be produced in the multi-stage synthesis, such as oligomers and synthetic non-repetitive organic molecules. Conveniently, nested families of compounds can be employed as identifiers, where number and/or position of a substituent define the choice. Alternatively, detectable functionalities may be employed, such as radioisotopes, fluorescers, halogens, and the like, where presence and ratios of two different groups can be used to define stage or choice. Particularly, pluralities of identifiers may be used to provide a binary or higher code, so as to define a plurality of choices with only a few detachable tags. The particles may be screened for a characteristic of interest, particularly binding affinity, where the products may be detached from the particle or retained on the particle. The reaction history of the particles which are positive for the characteristic can be determined by the release of the tags and analysis to define the reaction history of the particle.

专利号:US-5721099-A
优先权日:1992-10-01
标 题 :Complex combinatorial chemical libraries encoded with tags
发明人:STILL W CLARK; WIGLER MICHAEL H; OHLMEYER MICHAEL H J; DILLARD LAWRENCE W; READER JOHN C
权利人:UNIV COLUMBIA; COLD SPRING HARBOR LAB
摘要:Encoded combinatorial chemistry is provided, where sequential synthetic schemes are recorded using organic molecules, which define choice of reactant, and stage, as the same or different bit of information. Various products can be produced in the multi-stage synthesis, such as oligomers and synthetic non-repetitive organic molecules. Conveniently, nested families of compounds can be employed as identifiers, where number and/or position of a substituent define the choice. Alternatively, detectable functionalities may be employed, such as radioisotopes, fluorescers, halogens, and the like, where presence and ratios of two different groups can be used to define stage or choice. Particularly, pluralities of identifiers may be used to provide a binary or higher code, so as to define a plurality of choices with only a few detachable tags. The particles may be screened for a characteristic of interest, particularly binding affinity, where the products may be detached from the particle or retained on the particle. The reaction history of the particles which are positive for the characteristic can be determined by the release of the tags and analysis to define the reaction history of the particle.
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主要参考文献

[参考文献]: Jumei Tian, Et Al. Three Novel 1D Lanthanide-Carboxylate Polymeric Complexes: Syntheses, Crystal Structures And Magnetic Analyses. Dalton Trans. 2013 Jun 21;42(23):8504-11.

合成参考文献


摘要:Joule, J. A., Science of Synthesis Knowledge Updates, (2010) 2, 108.
摘要:D. Peltier, Bull. Soc. Chim. Fr. 1958, 994. Values also quoted from D. Peltier, Thesis, Rennes, (1956); C. R. Acad. Sci., Ser. C 243, 2086 (1956); 244, 2811 (1957); 245, 436 (1957).
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