Cas no 473264-01-6 (3-Methyl-4-[2-(trifluoromethyl)phenyl]benzoic acid)

3-Methyl-4-[2-(trifluoromethyl)phenyl]benzoic acid is a fluorinated aromatic carboxylic acid derivative with a molecular structure combining a benzoic acid core, a methyl substituent, and a trifluoromethylphenyl group. This compound is of interest in synthetic organic chemistry and pharmaceutical research due to its potential as a versatile intermediate. The presence of the trifluoromethyl group enhances lipophilicity and metabolic stability, making it valuable for the development of bioactive molecules. Its benzoic acid functionality allows for further derivatization, such as esterification or amidation, enabling applications in medicinal chemistry and material science. The compound's structural features contribute to its utility in designing novel compounds with tailored physicochemical properties.
3-Methyl-4-[2-(trifluoromethyl)phenyl]benzoic acid structure
473264-01-6 structure
Product Name:3-Methyl-4-[2-(trifluoromethyl)phenyl]benzoic acid
CAS No:473264-01-6
MF:C15H11F3O2
MW:280.241854906082
MDL:MFCD18321722
CID:2828417
PubChem ID:21947812
Update Time:2025-05-20

3-Methyl-4-[2-(trifluoromethyl)phenyl]benzoic acid Chemical and Physical Properties

Names and Identifiers

    • (2-Methyl-2'-trifluoromethyl-[1,1'-biphenyl]-4-yl)carboxylic acid
    • (2-Methyl-2'-trifluoromethyl-[1,1'-biphenyl]-4-yl)-carboxylic acid
    • 2-Methyl-2'-(trifluoromethyl)[1,1'-biphenyl]-4-carboxylic acid
    • DTXSID40620589
    • 2-Methyl-2'-trifluoromethyl-[1,1'-biphenyl]-4-carboxylic acid
    • A1-08269
    • 2-Methyl-2'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylic acid
    • TQP1598
    • 473264-01-6
    • 3-METHYL-4-(2-TRIFLUOROMETHYLPHENYL)BENZOIC ACID
    • 2-methyl-2'-(trifluoromethyl)biphenyl-4-carboxylic acid
    • MFCD18321722
    • SCHEMBL319915
    • 3-Methyl-4-[2-(trifluoromethyl)phenyl]benzoic acid
    • MDL： MFCD18321722
    • Inchi： 1S/C15H11F3O2/c1-9-8-10(14(19)20)6-7-11(9)12-4-2-3-5-13(12)15(16,17)18/h2-8H,1H3,(H,19,20)
    • InChI Key： ORMMKYADNPXZNO-UHFFFAOYSA-N
    • SMILES： FC(C1C=CC=CC=1C1C=CC(C(=O)O)=CC=1C)(F)F

Computed Properties

  • Exact Mass: 280.07111408Da
  • Monoisotopic Mass: 280.07111408Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 2
  • Complexity: 354
  • 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

3-Methyl-4-[2-(trifluoromethyl)phenyl]benzoic acid Pricemore >>

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3-Methyl-4-[2-(trifluoromethyl)phenyl]benzoic acid Related Literature

Additional information on 3-Methyl-4-[2-(trifluoromethyl)phenyl]benzoic acid

3-Methyl-4-[2-(trifluoromethyl)phenyl]benzoic Acid (CAS No. 473264-01-6)

3-Methyl-4-[2-(trifluoromethyl)phenyl]benzoic acid, also known by its CAS registry number 473264-01-6, is a compound of significant interest in the fields of organic chemistry and materials science. This compound is characterized by its unique structure, which includes a benzoic acid moiety substituted with a methyl group and a trifluoromethylphenyl group. The presence of the trifluoromethyl group introduces interesting electronic and steric properties, making this compound a valuable building block for various applications.

The synthesis of 3-Methyl-4-[2-(trifluoromethyl)phenyl]benzoic acid has been extensively studied, with researchers exploring various methodologies to optimize its preparation. Recent advancements in catalytic processes and green chemistry have enabled more efficient and environmentally friendly routes to this compound. For instance, the use of palladium-catalyzed cross-coupling reactions has been reported as a promising approach for constructing the carbon-carbon bonds within this molecule.

The chemical structure of 3-Methyl-4-[2-(trifluoromethyl)phenyl]benzoic acid plays a crucial role in its physical and chemical properties. The benzoic acid group imparts acidity, while the trifluoromethylphenyl substituent introduces electron-withdrawing effects, enhancing the compound's stability and reactivity in certain conditions. These properties make it a versatile molecule for use in pharmaceuticals, agrochemicals, and advanced materials.

In terms of applications, 3-Methyl-4-[2-(trifluoromethyl)phenyl]benzoic acid has shown potential in drug discovery programs targeting various therapeutic areas. Recent studies have highlighted its ability to modulate specific biological pathways, making it a candidate for the development of novel therapeutics. Additionally, its unique electronic properties make it an attractive material for use in organic electronics and optoelectronic devices.

The latest research on CAS No. 473264-01-6 has focused on understanding its interactions with biological systems and its potential as a precursor for more complex molecules. For example, researchers have investigated its role as an intermediate in the synthesis of bioactive compounds with improved pharmacokinetic profiles.

In conclusion, 3-Methyl-4-[2-(trifluoromethyl)phenyl]benzoic acid (CAS No. 473264-01-6) is a compound with diverse applications and promising potential across multiple disciplines. Its unique structure and properties continue to drive innovative research, positioning it as an important molecule in contemporary chemical science.

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