Cas no 1261953-85-8 (4-Hydroxy-2'-methoxy-5'-(trifluoromethyl)-[1,1'-biphenyl]-3-carbaldehyde)

4-Hydroxy-2'-methoxy-5'-(trifluoromethyl)-[1,1'-biphenyl]-3-carbaldehyde is a biphenyl-based aldehyde compound featuring hydroxyl, methoxy, and trifluoromethyl functional groups. Its structural complexity and electron-withdrawing trifluoromethyl group enhance its utility in organic synthesis, particularly as an intermediate in pharmaceuticals and agrochemicals. The presence of multiple substituents allows for selective functionalization, making it valuable in cross-coupling reactions and scaffold diversification. The hydroxyl and aldehyde groups provide reactive sites for further derivatization, while the methoxy and trifluoromethyl groups contribute to steric and electronic modulation. This compound is characterized by high purity and stability, ensuring consistent performance in research and industrial applications.
4-Hydroxy-2'-methoxy-5'-(trifluoromethyl)-[1,1'-biphenyl]-3-carbaldehyde structure
1261953-85-8 structure
Product Name:4-Hydroxy-2'-methoxy-5'-(trifluoromethyl)-[1,1'-biphenyl]-3-carbaldehyde
CAS No:1261953-85-8
MF:C15H11F3O3
MW:296.2413
MDL:MFCD18314893
CID:1223281
PubChem ID:53220639
Update Time:2025-05-24

4-Hydroxy-2'-methoxy-5'-(trifluoromethyl)-[1,1'-biphenyl]-3-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 2-hydroxy-5-[2-methoxy-5-(trifluoromethyl)phenyl]benzaldehyde
    • 4-Hydroxy-2'-methoxy-5'-(trifluoromethyl)-[1,1'-biphenyl]-3-carbaldehyde
    • 2-FORMYL-4-(2-METHOXY-5-TRIFLUOROMETHYLPHENYL)PHENOL
    • AK493819
    • 4-Hydroxy-2'-methoxy-5'-(trifluoromethyl)[1,1'-biphenyl]-3-carbaldehyde
    • 4-Hydroxy-2'-methoxy-5'-trifluoromethyl-biphenyl-3-carbaldehyde
    • MFCD18314893
    • C72089
    • DB-184896
    • 1261953-85-8
    • DS-18972
    • DTXSID30685369
    • AKOS027435827
    • CS-0160833
    • MDL: MFCD18314893
    • Inchi: 1S/C15H11F3O3/c1-21-14-5-3-11(15(16,17)18)7-12(14)9-2-4-13(20)10(6-9)8-19/h2-8,20H,1H3
    • InChI Key: YSDXGQCHJWTQJQ-UHFFFAOYSA-N
    • SMILES: FC(C1C([H])=C([H])C(=C(C=1[H])C1C([H])=C([H])C(=C(C([H])=O)C=1[H])O[H])OC([H])([H])[H])(F)F

Computed Properties

  • Exact Mass: 296.06602869g/mol
  • Monoisotopic Mass: 296.06602869g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 3
  • Complexity: 359
  • 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
  • Topological Polar Surface Area: 46.5
  • XLogP3: 4.1

4-Hydroxy-2'-methoxy-5'-(trifluoromethyl)-[1,1'-biphenyl]-3-carbaldehyde Security Information

4-Hydroxy-2'-methoxy-5'-(trifluoromethyl)-[1,1'-biphenyl]-3-carbaldehyde Pricemore >>

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Additional information on 4-Hydroxy-2'-methoxy-5'-(trifluoromethyl)-[1,1'-biphenyl]-3-carbaldehyde

Comprehensive Analysis of 4-Hydroxy-2'-methoxy-5'-(trifluoromethyl)-[1,1'-biphenyl]-3-carbaldehyde (CAS No. 1261953-85-8)

The compound 4-Hydroxy-2'-methoxy-5'-(trifluoromethyl)-[1,1'-biphenyl]-3-carbaldehyde (CAS No. 1261953-85-8) is a highly specialized organic molecule that has garnered significant attention in pharmaceutical and material science research. With its unique biphenyl backbone and functional groups like hydroxy, methoxy, and trifluoromethyl, this compound exhibits remarkable potential in drug discovery and advanced material applications. Researchers are particularly interested in its electronic properties and bioactivity, which make it a promising candidate for targeted therapies and smart materials.

In recent years, the demand for trifluoromethyl-containing compounds has surged due to their enhanced metabolic stability and lipophilicity, traits critical for drug development. The presence of the trifluoromethyl group in CAS No. 1261953-85-8 aligns with this trend, as it improves the compound's binding affinity and pharmacokinetic properties. Additionally, the methoxy and hydroxy substituents contribute to its versatility, enabling modifications for structure-activity relationship (SAR) studies. This makes the compound a valuable tool for medicinal chemists exploring new small-molecule inhibitors or agonists.

The biphenyl scaffold of this compound is another focal point, as it is widely utilized in organic electronics and photonics. Its rigid structure and conjugated system facilitate charge transport, making it suitable for applications in OLEDs and sensors. With the growing interest in sustainable technologies, researchers are investigating how 4-Hydroxy-2'-methoxy-5'-(trifluoromethyl)-[1,1'-biphenyl]-3-carbaldehyde can be integrated into green chemistry processes to reduce environmental impact. This aligns with the broader industry shift toward eco-friendly synthesis methods.

From a synthetic perspective, the carbaldehyde group in this compound offers a reactive handle for further derivatization, enabling the creation of libraries of analogs for high-throughput screening. This is particularly relevant in the context of AI-driven drug discovery, where computational models predict optimal structures for binding affinity and selectivity. The compound's CAS No. 1261953-85-8 is frequently cited in patents and publications related to kinase inhibitors and GPCR modulators, highlighting its importance in modern pharmacology.

Another area of interest is the compound's potential role in anti-inflammatory and antioxidant applications. The hydroxy group, in particular, is known to scavenge free radicals, which could be leveraged in cosmeceuticals or nutraceuticals. As consumers increasingly seek natural-derived actives, derivatives of this compound may find use in skincare formulations targeting oxidative stress and aging.

In summary, 4-Hydroxy-2'-methoxy-5'-(trifluoromethyl)-[1,1'-biphenyl]-3-carbaldehyde (CAS No. 1261953-85-8) represents a multifaceted molecule with applications spanning drug discovery, material science, and green chemistry. Its structural features and reactivity profile make it a subject of ongoing research, particularly in the context of personalized medicine and sustainable innovation. As scientific advancements continue, this compound is poised to play a pivotal role in addressing some of the most pressing challenges in healthcare and technology.

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