Cas no 537716-14-6 ([1,1'-Biphenyl]-2-carboxylic acid, 3-methyl-4'-(trifluoromethyl)-)

[1,1'-Biphenyl]-2-carboxylic acid, 3-methyl-4'-(trifluoromethyl)- is a biphenyl derivative featuring a carboxylic acid functional group at the 2-position and a trifluoromethyl substituent at the 4'-position, along with a methyl group at the 3-position. This compound is of interest in pharmaceutical and agrochemical research due to its structural rigidity and the electron-withdrawing properties of the trifluoromethyl group, which can enhance binding affinity and metabolic stability. The biphenyl scaffold provides a versatile platform for further functionalization, making it valuable in the synthesis of bioactive molecules. Its well-defined structure and purity ensure reproducibility in applications such as ligand design and intermediate synthesis.
[1,1'-Biphenyl]-2-carboxylic acid, 3-methyl-4'-(trifluoromethyl)- structure
537716-14-6 structure
Product Name:[1,1'-Biphenyl]-2-carboxylic acid, 3-methyl-4'-(trifluoromethyl)-
CAS No:537716-14-6
MF:C15H11F3O2
MW:280.241854906082
MDL:MFCD18321777
CID:1588415
PubChem ID:53227626
Update Time:2025-10-29

[1,1'-Biphenyl]-2-carboxylic acid, 3-methyl-4'-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-2-carboxylic acid, 3-methyl-4'-(trifluoromethyl)-
    • 2-methyl-6-[4-(trifluoromethyl)phenyl]benzoic acid
    • DTXSID00691159
    • SCHEMBL6497035
    • 3-methyl-4'-(trifluoromethyl)-1,1'-biphenyl-2-carboxylic acid
    • MFCD18321777
    • 6-METHYL-2-(4-TRIFLUOROMETHYLPHENYL)BENZOIC ACID
    • 3-Methyl-4'-(trifluoromethyl)-[1,1'-biphenyl]-2-carboxylicacid
    • 537716-14-6
    • 6-Methyl-2-(4-trifluoromethylphenyl)benzoic acid, 95%
    • 3-Methyl-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxylic acid
    • 3-Methyl-4'-(trifluoromethyl)-[1,1'-biphenyl]-2-carboxylic acid
    • MDL: MFCD18321777
    • Inchi: 1S/C15H11F3O2/c1-9-3-2-4-12(13(9)14(19)20)10-5-7-11(8-6-10)15(16,17)18/h2-8H,1H3,(H,19,20)
    • InChI Key: ALXVJXVIBRWQSH-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(=CC=1)C1C=CC=C(C)C=1C(=O)O)(F)F

Computed Properties

  • Exact Mass: 280.07113
  • Monoisotopic Mass: 280.07111408g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 346
  • 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: 4.3
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3

[1,1'-Biphenyl]-2-carboxylic acid, 3-methyl-4'-(trifluoromethyl)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB329024-5g
6-Methyl-2-(4-trifluoromethylphenyl)benzoic acid, 95%; .
537716-14-6 95%
5g
€1159.00 2025-04-18
abcr
AB329024-5 g
6-Methyl-2-(4-trifluoromethylphenyl)benzoic acid, 95%; .
537716-14-6 95%
5g
€1159.00 2023-04-26
Crysdot LLC
CD12063696-5g
3-Methyl-4'-(trifluoromethyl)-[1,1'-biphenyl]-2-carboxylic acid
537716-14-6 95+%
5g
$752 2024-07-24

Additional information on [1,1'-Biphenyl]-2-carboxylic acid, 3-methyl-4'-(trifluoromethyl)-

Recent Advances in the Study of [1,1'-Biphenyl]-2-carboxylic acid, 3-methyl-4'-(trifluoromethyl)- (CAS: 537716-14-6)

The compound [1,1'-Biphenyl]-2-carboxylic acid, 3-methyl-4'-(trifluoromethyl)-, with the CAS number 537716-14-6, has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This molecule, characterized by its biphenyl core and trifluoromethyl substituent, exhibits unique physicochemical properties that make it a promising candidate for various therapeutic applications. Recent studies have focused on its synthesis, structural modifications, and biological activities, particularly in the context of drug discovery and development.

One of the key areas of interest is the role of this compound as a building block in the synthesis of more complex molecules. Researchers have explored its utility in the development of small-molecule inhibitors targeting specific enzymes or receptors. For instance, a 2023 study published in the Journal of Medicinal Chemistry demonstrated that derivatives of [1,1'-Biphenyl]-2-carboxylic acid, 3-methyl-4'-(trifluoromethyl)- exhibited potent inhibitory activity against a range of kinases involved in inflammatory pathways. The study highlighted the importance of the trifluoromethyl group in enhancing binding affinity and metabolic stability.

Another significant advancement is the application of this compound in the design of fluorescent probes. A recent paper in Analytical Chemistry reported the development of a novel probe based on [1,1'-Biphenyl]-2-carboxylic acid, 3-methyl-4'-(trifluoromethyl)- for the detection of reactive oxygen species (ROS) in cellular environments. The probe's high selectivity and sensitivity were attributed to the electron-withdrawing nature of the trifluoromethyl group, which facilitated efficient electron transfer upon ROS interaction.

In addition to its applications in drug discovery and diagnostics, [1,1'-Biphenyl]-2-carboxylic acid, 3-methyl-4'-(trifluoromethyl)- has also been investigated for its potential in materials science. A 2024 study in Advanced Materials explored its use as a precursor for organic semiconductors. The researchers found that the compound's rigid biphenyl structure and electron-deficient trifluoromethyl group contributed to improved charge transport properties, making it a viable candidate for organic electronic devices.

Despite these promising developments, challenges remain in the large-scale synthesis and purification of [1,1'-Biphenyl]-2-carboxylic acid, 3-methyl-4'-(trifluoromethyl)-. Recent efforts have focused on optimizing synthetic routes to improve yield and reduce costs. For example, a 2023 patent application described a novel catalytic method for the efficient preparation of this compound, which could facilitate its broader adoption in industrial and academic settings.

In conclusion, [1,1'-Biphenyl]-2-carboxylic acid, 3-methyl-4'-(trifluoromethyl)- (CAS: 537716-14-6) represents a versatile and valuable scaffold in chemical biology and pharmaceutical research. Its unique structural features and diverse applications underscore its potential as a key player in the development of new therapeutics, diagnostic tools, and advanced materials. Future research will likely continue to explore its full range of biological and chemical properties, paving the way for innovative solutions in healthcare and technology.

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