Cas no 1261893-45-1 (2-fluoro-4-(4-methylsulfonylphenyl)benzoic Acid)

2-Fluoro-4-(4-methylsulfonylphenyl)benzoic acid is a fluorinated aromatic carboxylic acid derivative featuring a methylsulfonylphenyl substituent. This compound is of interest in pharmaceutical and agrochemical research due to its potential as a versatile intermediate in the synthesis of bioactive molecules. The fluorine atom enhances metabolic stability and binding affinity, while the methylsulfonyl group contributes to electron-withdrawing properties, influencing reactivity and selectivity. Its benzoic acid moiety allows for further functionalization, making it valuable for derivatization in drug discovery. The compound's well-defined structure and purity ensure reproducibility in synthetic applications. Suitable for use in cross-coupling reactions and as a building block for kinase inhibitors or other therapeutic agents.
2-fluoro-4-(4-methylsulfonylphenyl)benzoic Acid structure
1261893-45-1 structure
Product Name:2-fluoro-4-(4-methylsulfonylphenyl)benzoic Acid
CAS No:1261893-45-1
MF:C14H11FO4S
MW:294.298146486282
MDL:MFCD18322287
CID:1223003
PubChem ID:53228118
Update Time:2025-05-25

2-fluoro-4-(4-methylsulfonylphenyl)benzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-fluoro-4-(4-methylsulfonylphenyl)benzoic Acid
    • DTXSID20691651
    • AKMOCIAFCAMDLN-UHFFFAOYSA-N
    • 1261893-45-1
    • 3-Fluoro-4'-(methanesulfonyl)[1,1'-biphenyl]-4-carboxylic acid
    • A1-12085
    • MFCD18322287
    • SCHEMBL722526
    • 3-fluoro-4'-(methylsulfonyl)biphenyl-4-carboxylic acid
    • MDL： MFCD18322287
    • Inchi： 1S/C14H11FO4S/c1-20(18,19)11-5-2-9(3-6-11)10-4-7-12(14(16)17)13(15)8-10/h2-8H,1H3,(H,16,17)
    • InChI Key： AKMOCIAFCAMDLN-UHFFFAOYSA-N
    • SMILES： S(C)(C1C=CC(=CC=1)C1C=CC(C(=O)O)=C(C=1)F)(=O)=O

Computed Properties

  • Exact Mass: 294.03620816g/mol
  • Monoisotopic Mass: 294.03620816g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 448
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.4
  • Topological Polar Surface Area: 79.8?2

2-fluoro-4-(4-methylsulfonylphenyl)benzoic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB329563-5 g
2-Fluoro-4-(4-methylsulfonylphenyl)benzoic acid, 95%; .
 1261893-45-1 95%
5 g
 €1,159.00 2023-07-19
abcr
AB329563-5g
2-Fluoro-4-(4-methylsulfonylphenyl)benzoic acid, 95%; .
 1261893-45-1 95%
5g
 €1159.00 2025-04-21

2-fluoro-4-(4-methylsulfonylphenyl)benzoic Acid Related Literature

Additional information on 2-fluoro-4-(4-methylsulfonylphenyl)benzoic Acid

Comprehensive Overview of 2-Fluoro-4-(4-Methylsulfonylphenyl)Benzoic Acid (CAS No. 1261893-45-1)

2-Fluoro-4-(4-methylsulfonylphenyl)benzoic Acid (CAS No. 1261893-45-1) is a fluorinated aromatic carboxylic acid derivative with significant applications in pharmaceutical and agrochemical research. This compound, characterized by its methylsulfonyl and fluoro substituents, has garnered attention due to its unique chemical properties and potential as a building block in drug discovery. Researchers are increasingly exploring its role in modulating biological targets, particularly in inflammation and oncology-related pathways.

The structural features of 2-fluoro-4-(4-methylsulfonylphenyl)benzoic Acid make it a valuable intermediate in medicinal chemistry. The presence of the fluoro group enhances metabolic stability, while the methylsulfonyl moiety contributes to electronic effects that influence binding affinity. Recent studies highlight its utility in designing kinase inhibitors, where the benzoic acid scaffold serves as a critical pharmacophore. This aligns with current trends in personalized medicine, where targeted therapies demand precise molecular modifications.

In synthetic chemistry, CAS 1261893-45-1 is often employed in cross-coupling reactions and as a precursor for heterocyclic compounds. Its compatibility with modern green chemistry principles—such as catalyst-free reactions and solvent-free conditions—makes it relevant to sustainable manufacturing discussions. Industry professionals frequently search for "2-fluoro-4-(4-methylsulfonylphenyl)benzoic Acid synthesis" or "CAS 1261893-45-1 applications," reflecting growing interest in scalable and eco-friendly production methods.

Analytical characterization of this compound typically involves HPLC, NMR, and mass spectrometry, with researchers emphasizing purity thresholds (>98%) for biological assays. The methylsulfonylphenyl group’s polarity also makes it a candidate for LC-MS method development, a hot topic in analytical sciences. FAQs like "How to purify 2-fluoro-4-(4-methylsulfonylphenyl)benzoic Acid" or "stability under acidic conditions" are common in academic forums, underscoring practical challenges in handling this material.

From a commercial perspective, 1261893-45-1 is listed by specialty chemical suppliers catering to drug development pipelines. Its pricing and availability fluctuate based on demand from contract research organizations (CROs). Searches for "buy 2-fluoro-4-(4-methylsulfonylphenyl)benzoic Acid" often correlate with regional regulatory updates affecting fine chemical trade, highlighting the compound’s global relevance.

Emerging applications include its use in materials science, where the benzoic acid core facilitates polymer functionalization. This intersects with nanotechnology trends, particularly in designing drug delivery systems. Patent analyses reveal incremental innovations around CAS 1261893-45-1, suggesting untapped potential in non-pharmaceutical sectors like advanced coatings or electronic materials.

In summary, 2-fluoro-4-(4-methylsulfonylphenyl)benzoic Acid exemplifies how subtle structural changes can unlock diverse functionalities. Its interdisciplinary appeal—from medicinal chemistry to sustainable synthesis—positions it as a compound of enduring scientific and industrial interest.

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