Cas no 773872-61-0 ((3'-(Trifluoromethyl)-1,1'-biphenyl-3-yl)methanol)

(3'-(Trifluoromethyl)-1,1'-biphenyl-3-yl)methanol is a fluorinated aromatic alcohol featuring a biphenyl core with a trifluoromethyl group at the 3' position and a hydroxymethyl substituent at the 3 position. This compound is valued for its structural rigidity and electron-withdrawing properties, making it a versatile intermediate in pharmaceutical and agrochemical synthesis. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the hydroxymethyl functionality allows for further derivatization. Its well-defined reactivity profile enables efficient coupling reactions, facilitating the development of bioactive molecules. The compound is typically supplied in high purity, ensuring reproducibility in research and industrial applications.
(3'-(Trifluoromethyl)-1,1'-biphenyl-3-yl)methanol structure
773872-61-0 structure
Product Name:(3'-(Trifluoromethyl)-1,1'-biphenyl-3-yl)methanol
CAS No:773872-61-0
MF:C14H11F3O
MW:252.231754541397
MDL:MFCD05980218
CID:1072210
PubChem ID:1393027
Update Time:2025-10-05

(3'-(Trifluoromethyl)-1,1'-biphenyl-3-yl)methanol Chemical and Physical Properties

Names and Identifiers

    • (3'-(Trifluoromethyl)-[1,1'-biphenyl]-3-yl)methanol
    • (3\'-(Trifluoromethyl)-[1,1\'-biphenyl]-3-yl)methanol
    • (3'-TRIFLUOROMETHYLBIPHENYL-3-YL)-METHANOL
    • [3'-(TRIFLUOROMETHYL)[1,1'-BIPHENYL]-3-YL]METHANOL
    • [3'-(Trifluoromethyl)-3-biphenylyl]methanol
    • (3-(triethoxysilyl)propyl)carbamic acid 1-methylcyclohexyl ester
    • (3'-(trifluoromethyl)[1,1'-biphenyl]-3-yl)methanol
    • AGN-PC-0D7FQL
    • Carbamic acid, [3-(triethoxysilyl)propyl]-, 1-methylcyclohexyl ester
    • CTK1F3439
    • SureCN6516454
    • (3'-Trifluoromethyl-biphenyl-3-yl)-methanol
    • MFCD05980218
    • AKOS004116773
    • [3-[3-(trifluoromethyl)phenyl]phenyl]methanol
    • CS-0326410
    • AS-2157
    • [3'-(trifluoromethyl)-[1,1'-biphenyl]-3-yl]methanol
    • BB 0224063
    • A923404
    • 773872-61-0
    • SCHEMBL10269541
    • SB38704
    • (3''-(Trifluoromethyl)-[1,1''-biphenyl]-3-yl)methanol
    • (3'-(Trifluoromethyl)-1,1'-biphenyl-3-yl)methanol
    • MDL: MFCD05980218
    • Inchi: 1S/C14H11F3O/c15-14(16,17)13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-18/h1-8,18H,9H2
    • InChI Key: IROMTEIILLDKHZ-UHFFFAOYSA-N
    • SMILES: FC(C1=CC=CC(=C1)C1C=CC=C(CO)C=1)(F)F

Computed Properties

  • Exact Mass: 252.07619946g/mol
  • 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: 264
  • 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

(3'-(Trifluoromethyl)-1,1'-biphenyl-3-yl)methanol Security Information

(3'-(Trifluoromethyl)-1,1'-biphenyl-3-yl)methanol Pricemore >>

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(3'-(Trifluoromethyl)-1,1'-biphenyl-3-yl)methanol Related Literature

Additional information on (3'-(Trifluoromethyl)-1,1'-biphenyl-3-yl)methanol

Comprehensive Overview of (3'-(Trifluoromethyl)-1,1'-biphenyl-3-yl)methanol (CAS No. 773872-61-0)

(3'-(Trifluoromethyl)-1,1'-biphenyl-3-yl)methanol, with the CAS number 773872-61-0, is a specialized organic compound that has garnered significant attention in pharmaceutical and material science research. This compound, characterized by its biphenyl core and trifluoromethyl substituent, is widely utilized as a key intermediate in the synthesis of advanced materials and bioactive molecules. Its unique structural features, including the hydroxymethyl functional group, make it a versatile building block for drug discovery and agrochemical applications.

The growing demand for fluorinated compounds in modern chemistry has positioned (3'-(Trifluoromethyl)-1,1'-biphenyl-3-yl)methanol as a critical reagent. Researchers are particularly interested in its role in developing small-molecule inhibitors and ligands for protein targets, aligning with trends in personalized medicine and targeted therapies. Recent studies highlight its potential in modulating enzyme activity and improving drug bioavailability, addressing common challenges in pharmacokinetics.

From a synthetic perspective, the compound's biphenyl scaffold offers excellent stability and tunability, making it ideal for structure-activity relationship (SAR) studies. Its trifluoromethyl group enhances lipophilicity, a property highly sought after in CNS drug development. These attributes have led to its inclusion in patents for anti-inflammatory agents and neuroprotective compounds, reflecting industry shifts toward precision therapeutics.

Environmental and regulatory considerations are increasingly shaping compound applications. (3'-(Trifluoromethyl)-1,1'-biphenyl-3-yl)methanol is being evaluated for green chemistry compatibility, with focus on solvent-free synthesis and catalytic processes. This aligns with global initiatives for sustainable chemical production, answering frequent search queries about eco-friendly fluorochemicals.

Analytical characterization of this compound typically involves HPLC purity testing, NMR spectroscopy, and mass spectrometry – techniques frequently searched by quality control professionals. The compound's crystalline form has been optimized for improved handling properties, addressing formulation challenges noted in pharmaceutical forums.

In material science, the π-conjugated system of the biphenyl structure enables applications in organic electronics. Researchers are exploring its derivatives for OLED materials and conductive polymers, capitalizing on the electron-withdrawing nature of the CF3 group. These developments respond to market demands for flexible electronics and energy-efficient displays.

Supply chain dynamics for this specialty chemical reflect broader industry patterns. With increasing API manufacturing in Asia, quality standards for intermediates like 773872-61-0 have become a frequent discussion topic among procurement specialists. Analytical certificates with ICH Q3D elemental impurity compliance are now commonly requested.

The compound's stability profile makes it suitable for high-throughput screening applications, particularly in fragment-based drug discovery. Its hydrogen bonding capacity through the hydroxyl group enables diverse molecular interactions, explaining its prevalence in medicinal chemistry literature.

Emerging research explores the compound's potential in proteolysis targeting chimeras (PROTACs), a hot topic in drug discovery circles. Its ability to serve as a linker component in these bifunctional molecules demonstrates the expanding utility of biphenyl derivatives in cutting-edge therapies.

From a commercial standpoint, the pricing of (3'-(Trifluoromethyl)-1,1'-biphenyl-3-yl)methanol reflects its multistep synthesis requirements and GMP-grade availability. Market analysts note growing interest from contract research organizations seeking reliable sources of this building block.

Recent patent analyses reveal innovative applications of this compound in crystal engineering, where its derivatives form co-crystals with improved solubility profiles. This addresses the pharmaceutical industry's persistent poor solubility challenges, a subject of numerous scientific queries.

Safety data sheets emphasize standard organic compound handling procedures, with particular attention to the compound's solid-state stability and moisture sensitivity. These practical considerations frequently appear in laboratory safety discussions and chemical storage best practice guides.

The compound's chromatographic behavior has been extensively documented, providing valuable reference data for method development in analytical laboratories. Such technical details are highly sought after in HPLC method optimization forums and troubleshooting guides.

Looking forward, the development of continuous flow chemistry processes for this intermediate presents exciting possibilities for scale-up efficiency. This aligns with industry 4.0 trends in pharmaceutical manufacturing, answering growing searches about process intensification strategies.

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