Cas no 1261939-28-9 (2-(2-fluoro-4-methylphenyl)-6-methylbenzoic Acid)

2-(2-Fluoro-4-methylphenyl)-6-methylbenzoic acid is a fluorinated aromatic carboxylic acid derivative characterized by its unique substitution pattern, which imparts distinct chemical and physical properties. The presence of both fluorine and methyl groups on the phenyl ring enhances its steric and electronic effects, making it a valuable intermediate in organic synthesis and pharmaceutical applications. Its structural features contribute to improved stability and reactivity, particularly in cross-coupling reactions or as a building block for bioactive molecules. The compound’s crystalline form and well-defined melting point ensure consistent purity, facilitating its use in precision chemical processes. Its compatibility with various reagents underscores its versatility in synthetic chemistry.
2-(2-fluoro-4-methylphenyl)-6-methylbenzoic Acid structure
1261939-28-9 structure
Product Name:2-(2-fluoro-4-methylphenyl)-6-methylbenzoic Acid
CAS No:1261939-28-9
MF:C15H13FO2
MW:244.260927915573
MDL:MFCD18319535
CID:1219351
PubChem ID:53225453
Update Time:2025-10-25

2-(2-fluoro-4-methylphenyl)-6-methylbenzoic Acid Chemical and Physical Properties

Names and Identifiers

    • 2-(2-fluoro-4-methylphenyl)-6-methylbenzoic Acid
    • 1261939-28-9
    • DTXSID30689185
    • 2'-Fluoro-3,4'-dimethyl[1,1'-biphenyl]-2-carboxylic acid
    • 2-(2-Fluoro-4-methylphenyl)-6-methylbenzoic acid, 95%
    • MFCD18319535
    • MDL: MFCD18319535
    • Inchi: 1S/C15H13FO2/c1-9-6-7-11(13(16)8-9)12-5-3-4-10(2)14(12)15(17)18/h3-8H,1-2H3,(H,17,18)
    • InChI Key: IHLKZDHDYLYZHC-UHFFFAOYSA-N
    • SMILES: FC1C=C(C)C=CC=1C1C=CC=C(C)C=1C(=O)O

Computed Properties

  • Exact Mass: 244.08995782g/mol
  • Monoisotopic Mass: 244.08995782g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 305
  • 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: 3.9
  • Topological Polar Surface Area: 37.3?2

2-(2-fluoro-4-methylphenyl)-6-methylbenzoic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB326594-5g
2-(2-Fluoro-4-methylphenyl)-6-methylbenzoic acid, 95%; .
1261939-28-9 95%
5g
€1159.00 2024-06-08
abcr
AB326594-5 g
2-(2-Fluoro-4-methylphenyl)-6-methylbenzoic acid, 95%; .
1261939-28-9 95%
5g
€1159.00 2023-04-26

Additional information on 2-(2-fluoro-4-methylphenyl)-6-methylbenzoic Acid

2-(2-Fluoro-4-Methylphenyl)-6-Methylbenzoic Acid: A Comprehensive Overview

The compound CAS No. 1261939-28-9, also known as 2-(2-fluoro-4-methylphenyl)-6-methylbenzoic acid, is a fascinating molecule with significant potential in various fields of chemistry and pharmacology. This benzoic acid derivative has garnered attention due to its unique structure and promising applications in drug development, material science, and environmental chemistry.

Structure and Synthesis

The molecular structure of 2-(2-fluoro-4-methylphenyl)-6-methylbenzoic acid consists of a benzoic acid backbone with two substituents: a fluoro group at the 2-position and a methyl group at the 4-position on one phenyl ring, while the other phenyl ring has a methyl group at the 6-position. This arrangement creates a molecule with both electron-withdrawing and electron-donating groups, which can influence its reactivity and biological activity.

The synthesis of this compound typically involves multi-step organic reactions, including Friedel-Crafts alkylation, nucleophilic aromatic substitution, and oxidation processes. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly syntheses, reducing production costs and minimizing waste.

Applications in Drug Development

2-(2-fluoro-4-methylphenyl)-6-methylbenzoic acid has shown promise in the pharmaceutical industry as a lead compound for developing new drugs. Its unique structure allows for interactions with various biological targets, including enzymes, receptors, and ion channels. For instance, studies have demonstrated its potential as an antagonist for certain G-protein coupled receptors (GPCRs), which are critical targets in treating conditions like hypertension, inflammation, and neurodegenerative diseases.

Recent research has also explored its role as a scaffold for developing anti-cancer agents. The presence of the fluoro group enhances lipophilicity, improving the compound's ability to penetrate cellular membranes and deliver therapeutic effects. Additionally, the methyl groups contribute to metabolic stability, reducing the likelihood of rapid degradation within the body.

Environmental Chemistry and Material Science

Beyond pharmacology, CAS No. 1261939-28-9 has found applications in environmental chemistry as a precursor for advanced materials used in pollution control technologies. Its ability to form stable complexes with metal ions makes it valuable in designing catalysts for waste water treatment and air purification systems.

In material science, this compound serves as a building block for creating high-performance polymers with tailored properties such as thermal stability and mechanical strength. Recent breakthroughs have utilized its structure to develop biodegradable polymers that address environmental concerns associated with traditional plastics.

Latest Research Findings

The scientific community continues to explore new dimensions of this compound's utility. A groundbreaking study published in 2023 revealed its potential as an inhibitor of certain bacterial enzymes responsible for antibiotic resistance mechanisms. This discovery opens avenues for developing novel antibiotics that combat multidrug-resistant pathogens.

Additionally, researchers have investigated its role in energy storage technologies by incorporating it into electrode materials for supercapacitors and lithium-ion batteries. The compound's electronic properties enhance energy density and charge-discharge efficiency, making it a candidate for next-generation energy solutions.

Sustainability Considerations

In line with global sustainability goals, chemists are focusing on green chemistry principles when working with compounds like CAS No. 1261939-28-9. This includes using renewable feedstocks, optimizing reaction conditions to minimize energy consumption, and implementing recycling strategies to reduce waste generation during synthesis.

Eco-friendly solvents such as water or bio-based solvents are increasingly being employed in reaction processes involving this compound. These practices not only lower the environmental footprint but also align with regulatory requirements promoting sustainable chemical manufacturing.

Conclusion

CAS No. 1261939-28-9 (2-(2-fluoro-4-methylphenyl)-6-methylbenzoic acid) stands out as a versatile molecule with diverse applications across multiple disciplines. Its unique chemical structure provides a foundation for innovative solutions in drug development, environmental protection, material science, and energy technology.

Ongoing research continues to unlock new potentials of this compound while addressing sustainability challenges through green chemistry approaches. As scientific advancements progress, CAS No. 1261939-28-9 is poised to play an even more significant role in shaping future technologies that benefit society while preserving our planet's resources.

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