CAS: 619-04-5; 3,4-Dimethylbenzoic Acid

该化合物是一种替代苯甲酸衍生物,其特点是在芳香环的3和4位置的甲基组别;这种结构改变增强了其在有机合成中的效用,特别是作为制药,农用化学品和特殊化学品的中间体.由于化合物具有明确界定的芳芳烃和盒式酸功能,因此具有可预测的反应性,因此适合用于碳箱状,酯化和其他衍生反应.其晶体状固体形式确保了在标准条件下的处理和储存的便利.给电镀甲基组影响其溶性和再活性特征,在再生选择性变异方面提供了优势.纯性和持续性对于其在精细化学合成中的应用至关重要.

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欧盟法规

ECHA物质C&L通报REACH预注册

上下游产品

CAS号3637-01-2 3,4-二甲基苯乙酮 | CAS号95-47-6 邻二甲苯 | CAS号124-38-9 二氧化碳 | CAS号23182-07-2 3,4-dimethylcyc... | CAS号513-81-5 2,3-二甲基-1,3-丁二烯 | CAS号471-25-0 丙炔酸 | CAS号95-63-6 1,2,4-三甲苯 | CAS号88946-56-9 1,4-Cyclohexadi... | CAS号64-18-6 甲酸 | CAS号38404-42-1 3,4-二甲基苯甲酸甲酯 | CAS号5973-71-7 3,4-二甲基苯甲醛 | CAS号147219-20-3 (2E)-3-(3,4-Dim... | CAS号20896-24-6 3,4-bis(bromome... | CAS号19047-21-3 3,4-bis(dibromo... | CAS号95-47-6 邻二甲苯 | CAS号24964-78-1 (3,4-dimethylph... | CAS号118-90-1 邻甲基苯甲酸 | CAS号95-65-8 3,4-二甲酚 | CAS号95-64-7 3,4-二甲基苯胺

合成工艺路线路线简述

  • 合成目标产物 3,4-Dimethylbenzoic Acid 主要起始原料 3',4'-Dimethylacetophenone
  • (文献来源)合成步骤主要原料 3',4'-Dimethylacetophenone
2,2,2-三氯-1-(3,4-二甲基-苯基)-乙酮置于sodium Hydroxide体系中,化学反应生成 3,4-二甲基苯甲酸
参考文献:Houben; Fischer,Journal Fur Praktische Chemie (Leipzig 1954),1929,Vol. <2> 123,P. 319
标题:Houben; Fischer,Journal Fur Praktische Chemie (Leipzig 1954),1929,Vol. <2> 123,P. 319

海关参考信息

专利信息


专利号:US-6251689-B1
优先权日:1998-05-14
标 题:Methods for the solid phase synthesis of combinatorial libraries of benzimidazoles benzoxazoles benzothiazoles and derivatives thereof
发明人:LABORDE EDGARDO; MATSUMOTO YUKIHARU
权利人:TELIK INC
摘要:The present invention provides an efficient and versatile method for the synthesis and screening of combinatorial libraries of benzimidazoles, benzoxazoles, benzothiazoles, and derivatives thereof. In order to expedite the synthesis of large arrays of compounds possessing these core structures, a general methodology for solid phase synthesis of these derivatives is provided. Arrays of benzimidazoles, benzoxazoles, benzothiazoles, and derivatives thereof useful as peptidomimetics and for the identification of agents having antifungal, antiviral, antimicrobial, anticoagulant, and antiulcer activity, or use in the treatment of inflammation, hypertension, cancer, and other conditions can be prepared by this method.

专利号:WO-0112791-A1
优先权日:1999-08-12
标 题 :Dna shuffling of dioxygenase genes for production of industrial chemicals
发明人:SELIFONOV SERGEY A; NEWMAN LISA M
权利人:MAXYGEN INC; SELIFONOV SERGEY A; NEWMAN LISA M
摘要:This invention provides improved polypeptides, including dioxygenases, dehydrogenases, ligases and transferases that are useful for the biocatalytic synthesis of compounds such as α-hydroxycarboxylic acids, and aryl- and alkyl-hydroxy and carboxylic acid compounds. The polypeptides provided herein are improved in properties such as regioselectivity, enzymatic activity, stereospecificity, and the like. Methods for obtaining recombinant polynucleotides that encode these improved polypeptides are also provided, as are organisms that express the polypeptides and are thus useful for carrying out said biocatalytic syntheses. Also provided by the invention are methods for increasing said solvent resistance of organisms that are used in the synthetic methods.

专利号:US-8114993-B2
优先权日:2007-02-06
标题:Use of aryl chlorides in palladium-catalyzed C-H bond functionalization
发明人:DAUGULIS OLAFS; CHIONG HENDRICH
权利人:DAUGULIS OLAFS; CHIONG HENDRICH; UNIV HOUSTON SYSTEM
摘要:A one-step method for efficiently converting carbon-hydrogen bonds into carbon-carbon bonds using chloroarenes and palladium catalysts is disclosed. This method allows faster introduction of complex molecular entities, a process that would otherwise require many more steps. This invention is particularly relevant for the organic synthesis of complex molecules such as, but not limited to, pharmacophores.

专利号:US-9574189-B2
优先权日:2005-12-01
标题:Enzymatic encoding methods for efficient synthesis of large libraries
发明人:FRANCH THOMAS; LUNDORF MIKKEL DYBRO; JACOBSEN SØREN NYBOE; OLSEN EVA KAMPMANN; ANDERSEN ANNE LEE; HOLTMANN ANETTE; HANSEN ANDERS HOLM; SØRENSEN ANDERS MALLING; GOLDBECH ANNE; DE LEON DAEN; KALDOR DITTE KIEVSMOSE; SLØK FRANK ABILDGAARD; HUSEMOEN GITTE NYSTRUP; DOLBERG JOHANNES; Jensen Kim Birkebæ; PEDERSEN LENE; NØRREGAARD-MADSEN MADS; GODSKESEN MICHAEL ANDERS; GLAD SANNE SCHRØDER; NEVE SØREN; THISTED THOMAS; KRONBORG TINE TITILOLA AKINLEMINU; SAMS CHRISTIAN KLARNER; FELDING JAKOB; FRESKGÃ…RD PER-OLA; GOULIAEV ALEX HAAHR; PEDERSEN HENRIK
权利人:FRANCH THOMAS; LUNDORF MIKKEL DYBRO; JACOBSEN SØREN NYBOE; OLSEN EVA KAMPMANN; ANDERSEN ANNE LEE; HOLTMANN ANETTE; HANSEN ANDERS HOLM; SØRENSEN ANDERS MALLING; GOLDBECH ANNE; DE LEON DAEN; KALDOR DITTE KIEVSMOSE; SLØK FRANK ABILDGAARD; HUSEMOEN GITTE NYSTRUP; DOLBERG JOHANNES; Jensen Kim Birkebæ; PEDERSEN LENE; NØRREGAARD-MADSEN MADS; GODSKESEN MICHAEL ANDERS; GLAD SANNE SCHRØDER; NEVE SØREN; THISTED THOMAS; KRONBORG TINE TITILOLA AKINLEMINU; SAMS CHRISTIAN KLARNER; FELDING JAKOB; FRESKGÃ…RD PER-OLA; GOULIAEV ALEX HAAHR; PEDERSEN HENRIK; NUEVOLUTION AS
摘要:Disclosed is a method for obtaining a bifunctional complex comprising a molecule linked to a single stranded identifier oligonucleotide, wherein a nascent bifunctional complex comprising a chemical reaction site and a priming site for enzymatic addition of a tag is a) reacted at the chemical reaction site with one or more reactants, and b) reacted enzymatically at the priming site with one or more tag(s) identifying the reactant(s).

专利号:US-2017299530-A1
优先权日:2013-12-12
标题 :Compounds and methods for analysis and synthesis of saccharide compounds, and method for quantitating saccharide
发明人:YANG WEN-BIN
权利人:ACADEMIA SINICA
摘要:Provided is a method for quantitating a saccharide in a liquid sample. The method comprises incubating the liquid sample with 2,3-naphthalenediamine in the presence of iodine to allow a naphthimidazole group to be linked to the saccharide to obtain a first mixture; obtaining an 1 H-NMR spectrum of the first mixture; and comparing, in said 1 H-NMR spectrum, the intensity or integral of a proton signal corresponding to the saccharide to the intensity or integral of a proton signal corresponding to an internal standard present in the first mixture.

专利号:US-6664282-B2
优先权日:1999-09-17
标 题:Synthesis of [3,5,7]-1H-imidazo [1,5-a]imidazol-2 (3H)- one compounds
发明人:ELABDELLAOUI HASSAN M; OSTRESH JOHN M; HOUGHTEN RICHARD A
权利人:TORREY PINES INST
摘要:Individual substituted [3,5,7]-1H-imidazo[1,5-a]imidazol-2(3H)-one compounds and their pharmaceutically-acceptable salts are disclosed, as are libraries of such compounds. Methods of preparing and using the libraries of compounds as well as individual compounds of the libraries are also disclosed.
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主要参考文献

[参考文献]: Stefanschmidt, Et Al. Isolation And Identification Of Two Novel Butenolides As Products Of Dimethylbenzoate Metabolism By Rhodococcus Rhodochrous N75.
[参考文献]: G Baggi, Et Al. Initial Steps In The Degradation Of 3,4-Dimethylbenzoic Acid By Pseudomonas Putida Strain Dmb. Fems Microbiol Lett. 1996 Apr 1;137(2-3):129-34.
[参考文献]: P Kostrzewski, Et Al. Biological Monitoring Of Experimental Human Exposure To Trimethylbenzene. Sci Total Environ. 1997 Jun 20;199(1-2):73-81.

合成参考文献


摘要:González-Bello, C., Science of Synthesis Knowledge Updates, (2018) 1, 215.
摘要:Li, D.-D.; Wang, G.-W., Science of Synthesis: Catalytic Transformations via CH Activation, (2015) 2, 355.
摘要:B. Luning, Acta Chem. Scand. 14, 321 (1960).
摘要:Ying, J.; Wu, X.-F., Science of Synthesis: Knowledge Updates, (2024) 1, 281.
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