Cas no 126485-55-0 ((4'-Trifluoromethylbiphenyl-3-yl)methanol)

(4'-Trifluoromethylbiphenyl-3-yl)methanol is a fluorinated biphenyl derivative featuring a hydroxymethyl group at the 3-position and a trifluoromethyl group at the 4'-position of the biphenyl scaffold. This compound is valued for its structural versatility in organic synthesis and pharmaceutical applications, where the trifluoromethyl group enhances metabolic stability and lipophilicity. The hydroxymethyl moiety allows for further functionalization, making it a useful intermediate in the development of agrochemicals, liquid crystals, or bioactive molecules. Its well-defined aromatic framework and electron-withdrawing trifluoromethyl group contribute to its utility in cross-coupling reactions and as a building block for advanced materials. High purity grades are available for research and industrial use.
(4'-Trifluoromethylbiphenyl-3-yl)methanol structure
126485-55-0 structure
Product Name:(4'-Trifluoromethylbiphenyl-3-yl)methanol
CAS No:126485-55-0
MF:C14H11F3O
MW:252.231754541397
CID:897292
PubChem ID:14468003
Update Time:2025-05-27

(4'-Trifluoromethylbiphenyl-3-yl)methanol Chemical and Physical Properties

Names and Identifiers

    • (4'-Trifluoromethylbiphenyl-3-yl)methanol
    • (4'-trifluoromethylbiphenyl-3-yl)-methanol
    • [3-[4-(trifluoromethyl)phenyl]phenyl]methanol
    • tert-Butyl 4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxylate
    • (4'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl)methanol
    • [3-(4-trifluoromethylphenyl)phenyl]methanol
    • [4'-(trifluoromethyl)-3-biphenylyl]methanol
    • 3-(4-trifluoromethylphenyl)-benzyl alcohol
    • AKOS BAR-1813
    • RARECHEM AL BD 1238
    • 3-(3-(Trifluoromethyl)phenyl)benzyl alcohol
    • [4'-(TRIFLUOROMETHYL)[1,1'-BIPHENYL]-3-YL]METHANOL
    • 126485-55-0
    • (4'-(trifluoromethyl)biphenyl-3-yl)methanol
    • AKOS004116810
    • ALBB-036767
    • 4'-(Trifluoromethyl)biphenyl-3-methanol
    • DTXSID30560662
    • [1,1'-Biphenyl]-3-methanol, 4'-(trifluoromethyl)-
    • (4/'-TRIFLUOROMETHYLBIPHENYL-3-YL)-METHANOL
    • (4'-Trifluoromethyl-biphenyl-3-yl)-methanol
    • SCHEMBL2244213
    • Zinc04204306
    • MDL: MFCD06203007
    • Inchi: 1S/C14H11F3O/c15-14(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-18/h1-8,18H,9H2
    • InChI Key: BKESULFFLXBNLC-UHFFFAOYSA-N
    • SMILES: FC(C1C=CC(=CC=1)C1C=CC=C(CO)C=1)(F)F

Computed Properties

  • Exact Mass: 252.07600
  • Monoisotopic Mass: 252.07619946g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 256
  • 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: 20.2?2

Experimental Properties

  • Boiling Point: 327.703℃/760mmHg
  • PSA: 20.23000
  • LogP: 3.86470

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Additional information on (4'-Trifluoromethylbiphenyl-3-yl)methanol

Comprehensive Overview of (4'-Trifluoromethylbiphenyl-3-yl)methanol (CAS No. 126485-55-0)

(4'-Trifluoromethylbiphenyl-3-yl)methanol, with the CAS registry number 126485-55-0, is a specialized organic compound widely utilized in pharmaceutical intermediates, material science, and fine chemical synthesis. This compound features a biphenyl core substituted with a trifluoromethyl group at the 4'-position and a hydroxymethyl moiety at the 3-position, making it a versatile building block for advanced applications. Its unique structural attributes, including the electron-withdrawing trifluoromethyl group, contribute to its reactivity and utility in cross-coupling reactions and drug discovery.

In recent years, the demand for fluorinated organic compounds like (4'-Trifluoromethylbiphenyl-3-yl)methanol has surged due to their enhanced metabolic stability and lipophilicity, critical for developing bioactive molecules. Researchers and industries frequently search for "trifluoromethyl biphenyl derivatives" or "CAS 126485-55-0 applications" to explore its role in medicinal chemistry and material engineering. This compound is particularly relevant in the synthesis of kinase inhibitors and liquid crystal materials, aligning with trends in targeted drug delivery and advanced display technologies.

The synthesis of (4'-Trifluoromethylbiphenyl-3-yl)methanol typically involves Suzuki-Miyaura coupling or Grignard reactions, followed by selective oxidation or reduction steps. Its purity and stability are paramount, often analyzed via HPLC and NMR spectroscopy. Environmental and regulatory considerations, such as "green chemistry alternatives" for fluorinated compounds, are also trending topics, prompting innovations in catalytic methods and solvent-free processes.

From a commercial perspective, 126485-55-0 is cataloged by major chemical suppliers as a high-value intermediate. Its pricing and availability are influenced by factors like "fluorine supply chain" dynamics and "pharmaceutical outsourcing trends." Additionally, its compatibility with continuous flow chemistry systems has garnered attention for industrial-scale production, addressing the need for cost-effective synthesis routes.

In summary, (4'-Trifluoromethylbiphenyl-3-yl)methanol (CAS 126485-55-0) exemplifies the intersection of structural innovation and practical utility in modern chemistry. Its applications span drug development, electronic materials, and catalysis, reflecting broader industry shifts toward sustainable and high-performance chemical solutions. As research progresses, this compound is poised to remain a focal point in cutting-edge scientific endeavors.

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