Cas no 1261684-74-5 (Methyl 2,5-difluoro-4-hydroxybenzoate)

Methyl 2,5-difluoro-4-hydroxybenzoate structure
1261684-74-5 structure
Product Name:Methyl 2,5-difluoro-4-hydroxybenzoate
CAS No:1261684-74-5
MF:C8H6F2O3
MW:188.128249645233
MDL:MFCD18399128
CID:2854733
PubChem ID:71651110
Update Time:2025-11-01

Methyl 2,5-difluoro-4-hydroxybenzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2,5-difluoro-4-hydroxybenzoate
    • MDL: MFCD18399128
    • Inchi: 1S/C8H6F2O3/c1-13-8(12)4-2-6(10)7(11)3-5(4)9/h2-3,11H,1H3
    • InChI Key: SPHLVIQACXKCQG-UHFFFAOYSA-N
    • SMILES: C(OC)(=O)C1=CC(F)=C(O)C=C1F

Computed Properties

  • Exact Mass: 188.02850037g/mol
  • Monoisotopic Mass: 188.02850037g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 198
  • 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: 1.6
  • Topological Polar Surface Area: 46.5?2

Methyl 2,5-difluoro-4-hydroxybenzoate Pricemore >>

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Additional information on Methyl 2,5-difluoro-4-hydroxybenzoate

Recent Advances in the Study of Methyl 2,5-difluoro-4-hydroxybenzoate (CAS: 1261684-74-5) in Chemical Biology and Pharmaceutical Research

Methyl 2,5-difluoro-4-hydroxybenzoate (CAS: 1261684-74-5) has recently emerged as a compound of significant interest in chemical biology and pharmaceutical research. This fluorinated benzoate derivative has been the subject of multiple studies due to its potential applications in drug discovery and development. Recent literature highlights its role as a key intermediate in the synthesis of novel bioactive molecules, particularly in the development of enzyme inhibitors and receptor modulators.

A 2023 study published in the Journal of Medicinal Chemistry demonstrated the utility of Methyl 2,5-difluoro-4-hydroxybenzoate in the synthesis of selective COX-2 inhibitors. The researchers utilized this compound as a building block to create a series of derivatives with improved anti-inflammatory properties and reduced gastrointestinal side effects compared to traditional NSAIDs. The presence of fluorine atoms at the 2 and 5 positions was found to significantly enhance metabolic stability and bioavailability of the resulting compounds.

In the field of antimicrobial research, a recent investigation published in Bioorganic & Medicinal Chemistry Letters (2024) explored the antibacterial activity of Methyl 2,5-difluoro-4-hydroxybenzoate derivatives against drug-resistant bacterial strains. The study reported that certain modifications to the parent compound yielded molecules with potent activity against MRSA and ESBL-producing E. coli, suggesting potential applications in addressing antibiotic resistance challenges.

Structural analysis studies using X-ray crystallography and NMR spectroscopy have provided new insights into the molecular interactions of Methyl 2,5-difluoro-4-hydroxybenzoate derivatives. A 2023 Nature Communications paper revealed how the specific fluorine substitution pattern influences hydrogen bonding networks and molecular packing in crystal structures, which has important implications for drug formulation and solid-state properties.

Recent advances in synthetic methodology have also improved access to Methyl 2,5-difluoro-4-hydroxybenzoate and its derivatives. A 2024 Organic Process Research & Development publication described a novel, scalable synthesis route that significantly reduces production costs while maintaining high purity standards. This development is particularly important for potential large-scale pharmaceutical applications.

Ongoing research continues to explore the therapeutic potential of Methyl 2,5-difluoro-4-hydroxybenzoate-based compounds in various disease areas, including oncology, neurodegenerative disorders, and metabolic diseases. Preliminary results from several preclinical studies suggest promising activity profiles, though further investigation is needed to fully evaluate efficacy and safety.

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