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Atomfair 3-(4,5-Dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)benzoic acid C12H13NO5S CAS 223646-24-0

3-(4,5-Dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)benzoic acid (CAS No. 223646-24-0) is a high-purity organic compound with the molecular formula C12H13NO5S . This benzoic acid derivative features a 4,5-dihydroisoxazole moiety and a methylsulfonyl group, making it a valuable intermediate for pharmaceutical and agrochemical research. Its IUPAC name is 3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoic acid . The compound is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for synthetic applications. It is stable under recommended storage conditions (2-8°C, dry, inert atmosphere) and is compatible with common organic solvents. Ideal for medicinal chemistry, this building block enables the development of novel bioactive molecules targeting inflammation, metabolic…

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Description

3-(4,5-Dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)benzoic acid (CAS No. 223646-24-0) is a high-purity organic compound with the molecular formula C12H13NO5S. This benzoic acid derivative features a 4,5-dihydroisoxazole moiety and a methylsulfonyl group, making it a valuable intermediate for pharmaceutical and agrochemical research. Its IUPAC name is 3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoic acid. The compound is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC), ensuring consistency for synthetic applications. It is stable under recommended storage conditions (2-8°C, dry, inert atmosphere) and is compatible with common organic solvents. Ideal for medicinal chemistry, this building block enables the development of novel bioactive molecules targeting inflammation, metabolic disorders, or crop protection agents.

Properties

  • CAS Number: 223646-24-0
  • Complexity: 493
  • IUPAC Name: 3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-methylsulfonyl-benzoic acid
  • InChI: InChI=1S/C12H13NO5S/c1-7-8(12(14)15)3-4-10(19(2,16)17)11(7)9-5-6-18-13-9/h3-4H,5-6H2,1-2H3,(H,14,15)
  • InChI Key: JHIDHJCCPYAESR-UHFFFAOYSA-N
  • Exact Mass: 283.05144369
  • Molecular Formula: C12H13NO5S
  • Molecular Weight: 283.30
  • SMILES: CC1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)C(=O)O
  • Topological: 101
  • Monoisotopic Mass: 283.05144369
  • Synonyms: 223646-24-0, UNII-293W9556ML, 3-(4,5-Dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)benzoic acid, Benzoic acid, 3-(4,5-dihydro-3-isoxazolyl)-2-methyl-4-(methylsulfonyl)-, 293W9556ML, DTXSID10895085, DTXCID701324630, Topramezone Acid, 3-(4,5-Dihydroisoxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid, SCHEMBL4698411, Topramezone Metabolite M670H05, JHIDHJCCPYAESR-UHFFFAOYSA-N, NS00003158, F96380, Q27254376, 2-methyl-3-(4,5-dihydroisoxazol-3-yl)-4-methylsulfonylbenzoic acid, 3-(4,5-dihydroisoxazol-3-yl)-4-methylsulfonyl-2-methylbenzoic acid

Application

This compound serves as a key synthetic intermediate in medicinal chemistry for developing small-molecule therapeutics, particularly in inflammation and metabolic disease research. Its unique structure allows incorporation into pharmacophores targeting enzyme inhibition or receptor modulation. Researchers also utilize it in agrochemical discovery for designing next-generation herbicides and plant growth regulators. The methylsulfonyl and dihydroisoxazole groups offer versatile sites for further functionalization through cross-coupling or nucleophilic substitution reactions.

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

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Certain molecules may be protected by active patents or regulatory restrictions.

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  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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