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2-Amino-4-(methylsulfonyl)benzoic acid, a benzene derivative with the molecular formula C8H9NO4S, features a sulfonic acid group, an amino group, and a methylsulfonyl group on the benzene ring. This chemical compound serves as a versatile intermediate in the synthesis of pharmaceuticals and dyes, and is also utilized in research and development for creating new compounds. Its potential medicinal properties are currently under investigation for drug development.

393085-45-5

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393085-45-5 Usage

Uses

Used in Pharmaceutical Industry:
2-Amino-4-(methylsulfonyl)benzoic acid is used as an intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new drugs. Its unique chemical structure allows it to be a building block in the creation of compounds with potential therapeutic applications.
Used in Dye Industry:
In the dye industry, 2-Amino-4-(methylsulfonyl)benzoic acid is utilized as an intermediate in the production of dyes, where its chemical properties contribute to the color and stability of the final products.
Used in Research and Development:
2-Amino-4-(methylsulfonyl)benzoic acid is used as a building block in research and development for the creation of new compounds. Its unique structure and functional groups make it a valuable component in the synthesis of novel chemical entities with potential applications in various fields.
Used in Drug Development:
2-Amino-4-(methylsulfonyl)benzoic acid is being studied for its potential medicinal properties, with ongoing research exploring its therapeutic applications in drug development. Its unique chemical structure and functional groups offer opportunities for the discovery of new pharmaceutical agents with potential health benefits.

Check Digit Verification of cas no

The CAS Registry Mumber 393085-45-5 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,9,3,0,8 and 5 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 393085-45:
(8*3)+(7*9)+(6*3)+(5*0)+(4*8)+(3*5)+(2*4)+(1*5)=165
165 % 10 = 5
So 393085-45-5 is a valid CAS Registry Number.
InChI:InChI=1/C8H9NO4S/c1-14(12,13)5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11)

393085-45-5Relevant academic research and scientific papers

Assembly of nitroreductase and layered double hydroxides toward functional biohybrid materials

Bruna, Felipe,Mousty, Christine,Besse-Hoggan, Pascale,Batisson, Isabelle,Prevot, Vanessa

, p. 71 - 81 (2019)

The development of new multifunctional materials integrating catalytically active and selective biomolecules, such as enzymes, as well as easily removable and robust inorganic supports that allow their use and reuse, is a subject of ongoing attention. In

Selenium-catalyzed intramolecular atom- And redox-economical transformation ofo-nitrotoluenes into anthranilic acids

Jiang, Xuefeng,Li, Yiming,Lin, Zhenyang,Wang, Yuhong,Yang, Tilong

supporting information, p. 2986 - 2991 (2021/05/05)

Anthranilic acids (AAs) are significant basic chemicals used in pharmaceuticals, agrochemicals, dyes, fragrances,etc. Superfluous steps are always involved in obtaining AAs. Herein, we demonstrate a straightforward strategy to transform abundanto-nitrotoluenes into biologically and pharmaceutically significant AAs without any extra reductants, oxidants and protecting groups. Various sensitive groups, such as halogens, sulfide, aldehyde, pyridines, quinolines,etc., can be tolerated in this transformation. A hundred-gram-scale operation is realized efficiently with almost quantitative selenium recycling. Further mechanistic studies and DFT calculations disclosed the proposed atom-exchange processes and the key roles of the selenium species.

Anthranilic acid and derivatives thereof as well as synthesis method and application thereof

-

Paragraph 0071-0073, (2021/09/15)

In the reaction solvent, o-methyl (hetero) aryl nitro compound is taken as a reaction raw material and is used for water. The anthranilic acid and its derivatives are synthesized by the action of a catalyst, a base and an additive. The synthetic method has the advantages of cheap and easily available raw materials, simple reaction operation, high yield and excellent functional group tolerance, and provides a simple and efficient method for synthesizing o-aminobenzoic acid which is widely used in the aspects of dyes, medicines, pesticides, spices and the like. The invention further discloses the anthranilic acid and derivatives and application thereof, and has a wide application prospect.

The photo-degradation of mesotrione, a triketone herbicide, in the presence of CuII ions

Le Person, Anna?g,Siampiringue, Marie,Sarakha, Mohamed,Moncomble, Aurélien,Cornard, Jean-Paul

, p. 76 - 86 (2015/10/19)

The study focuses first on the complexation of CuII ions with mesotrione. Experimental absorption spectra combined with quantum chemical calculations highlight that CuII ions bind to the molecule in bidentate mode between O1 and O7 atoms. The calculated electronic transitions of the complex show that three of them are mostly ligand-to-ligand electron transfer while the lowest-energy one involves a ligand-to-metal charge transfer (LMCT). The second aim of this work is to explore the effect of CuII complexation on the photo-degradation of mesotrione. The kinetics and mechanisms of the reactions are proposed on the basis of the experimental results. The effect of different parameters such as the irradiation wavelength, the oxygen concentration and the pH of the mixture and also the production of reactive species such as hydroxyl radicals is investigated. The photochemical degradation of mesotrione in water arises from the triplet excited state of the molecule and results in a photo-hydrolysis process. For the complex, by exciting mainly in its LMCT absorption band, an electron transfer between copper and mesotrione probably occurs and the mechanism of mesotrione-CuII photo-degradation differs: in addition to the photo-hydrolysis route, a photo-cyclisation process takes place and the oxidation of the ligand is accompanied by the reduction of CuII ions.

Kinetics and the mechanism of the photocatalytic degradation of mesotrione in aqueous suspension and toxicity of its degradation mixtures

?oji?, Daniela V.,Or?i?, Dejan Z.,?etojevi?-Simin, Dragana D.,Despotovi?, Vesna N.,Abramovi?, Biljana F.

, p. 67 - 75 (2014/06/10)

The photocatalytic degradation of the herbicide mesotrione (0.05 mM) in aqueous suspensions of TiO2 Degussa P25 and ZnO was examined as a function of the different operational parameters. The optimum of the catalyst loading was found to be 2.00 mg mL-1 under UV light at the pH 4.0 (TiO2 Degussa P25) and pH 9.2 (ZnO). In the first stage of the reaction, the photocatalytic degradation of mesotrione followed the pseudo-first order kinetics, in which the heterogeneous catalysis proceeds mainly via ?OH radicals, and partly also via holes. The results showed that the disappearance of mesotrione led to the formation of a number of organic intermediates and ionic byproducts, whereas its complete mineralization occurred after about 4 h. Tentative photodegradation pathways were proposed and discussed as a function of the type of photocatalyst. A comparison of the evolution of toxicity that was evaluated in vitro in the rat hepatoma (H-4-II-E) and human fetal lung (MRC-5) cell lines with the degradation kinetics indicates that the cell growth of both cell lines was only mildly affected by the mixture of mesotrione and its photocatalytic degradation intermediates obtained using TiO2 Degussa P25, and moderately affected by the mixtures obtained using ZnO, whereby at 120 min toxicity decreased.

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