Cas no 1261954-98-6 (2-(3,5-Dimethylphenyl)-5-methylbenzoic acid)

2-(3,5-Dimethylphenyl)-5-methylbenzoic acid is a substituted benzoic acid derivative featuring dimethylphenyl and methyl functional groups. This compound is of interest in organic synthesis and pharmaceutical research due to its structural rigidity and potential as an intermediate in the development of more complex molecules. The presence of electron-donating methyl groups enhances its stability and may influence reactivity in electrophilic substitution or coupling reactions. Its well-defined aromatic framework makes it suitable for applications in material science, particularly in the design of liquid crystals or specialty polymers. The compound’s purity and consistent performance are critical for reproducible results in research and industrial settings.
2-(3,5-Dimethylphenyl)-5-methylbenzoic acid structure
1261954-98-6 structure
Product Name:2-(3,5-Dimethylphenyl)-5-methylbenzoic acid
CAS No:1261954-98-6
MF:C16H16O2
MW:240.297044754028
MDL:MFCD18319363
CID:2622231
PubChem ID:53225285
Update Time:2025-05-23

2-(3,5-Dimethylphenyl)-5-methylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • AKOS017552472
    • 2-(3,5-Dimethylphenyl)-5-methylbenzoic acid, 95%
    • 1261954-98-6
    • DTXSID60689017
    • MFCD18319363
    • 2-(3,5-DIMETHYLPHENYL)-5-METHYLBENZOIC ACID
    • 3',4,5'-Trimethyl[1,1'-biphenyl]-2-carboxylic acid
    • 2-(3,5-Dimethylphenyl)-5-methylbenzoic acid
    • MDL: MFCD18319363
    • Inchi: 1S/C16H16O2/c1-10-4-5-14(15(9-10)16(17)18)13-7-11(2)6-12(3)8-13/h4-9H,1-3H3,(H,17,18)
    • InChI Key: SDHVXFFHPZEYGC-UHFFFAOYSA-N
    • SMILES: OC(C1C=C(C)C=CC=1C1C=C(C)C=C(C)C=1)=O

Computed Properties

  • Exact Mass: 240.115029749Da
  • Monoisotopic Mass: 240.115029749Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 289
  • 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: 4.2
  • Topological Polar Surface Area: 37.3?2

2-(3,5-Dimethylphenyl)-5-methylbenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB326380-5 g
2-(3,5-Dimethylphenyl)-5-methylbenzoic acid, 95%; .
1261954-98-6 95%
5g
€1159.00 2023-04-26
abcr
AB326380-5g
2-(3,5-Dimethylphenyl)-5-methylbenzoic acid, 95%; .
1261954-98-6 95%
5g
€1159.00 2025-04-21

Additional information on 2-(3,5-Dimethylphenyl)-5-methylbenzoic acid

Comprehensive Overview of 2-(3,5-Dimethylphenyl)-5-methylbenzoic acid (CAS No. 1261954-98-6)

2-(3,5-Dimethylphenyl)-5-methylbenzoic acid (CAS No. 1261954-98-6) is a specialized organic compound that has garnered significant attention in pharmaceutical and chemical research due to its unique structural properties. This compound, often referred to by its systematic name or CAS number, is a derivative of benzoic acid, featuring a 3,5-dimethylphenyl substituent and a 5-methyl group on the benzoic acid core. Its molecular formula is C16H16O2, and it exhibits a molecular weight of 240.30 g/mol. Researchers are particularly interested in its potential applications in drug development, especially in the design of small-molecule inhibitors and intermediates for bioactive compounds.

The synthesis of 2-(3,5-Dimethylphenyl)-5-methylbenzoic acid typically involves multi-step organic reactions, including Friedel-Crafts acylation and subsequent oxidation steps. Its benzoic acid backbone makes it a versatile building block for further chemical modifications. In recent years, the demand for such intermediates has surged, driven by the growing focus on targeted drug delivery and personalized medicine. This compound's ability to act as a precursor for more complex molecules aligns well with current trends in green chemistry and sustainable synthesis, which prioritize efficiency and minimal environmental impact.

One of the most frequently asked questions about CAS No. 1261954-98-6 revolves around its solubility and stability under various conditions. Studies indicate that this compound is soluble in common organic solvents such as dimethyl sulfoxide (DMSO) and methanol, but exhibits limited solubility in water. Its stability at room temperature makes it suitable for long-term storage, a critical factor for industrial and laboratory applications. Additionally, its melting point and spectroscopic properties (e.g., NMR and IR spectra) have been well-documented, aiding in its identification and quality control.

In the context of drug discovery, 2-(3,5-Dimethylphenyl)-5-methylbenzoic acid has been explored as a potential scaffold for developing anti-inflammatory and anticancer agents. Its structural features, including the methyl-substituted aromatic rings, contribute to its ability to interact with biological targets such as enzymes and receptors. Recent publications have highlighted its role in the synthesis of tyrosine kinase inhibitors, a class of compounds that are pivotal in treating various cancers. This aligns with the broader industry shift toward precision oncology and small-molecule therapeutics.

From a commercial perspective, the global market for fine chemicals and pharmaceutical intermediates like CAS No. 1261954-98-6 is expanding rapidly. Suppliers and manufacturers are increasingly focusing on high-purity grades to meet the stringent requirements of regulatory agencies such as the FDA and EMA. The compound's patent status and supply chain dynamics are also topics of interest, particularly for stakeholders in the generic drug and contract research organization (CRO) sectors.

In summary, 2-(3,5-Dimethylphenyl)-5-methylbenzoic acid (CAS No. 1261954-98-6) represents a valuable chemical entity with broad applicability in modern research and industry. Its combination of structural simplicity and functional versatility makes it a key player in the development of next-generation therapeutics and materials. As the scientific community continues to explore its potential, this compound is likely to remain a focal point in medicinal chemistry and material science discussions.

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