Cas no 887584-91-0 (3,4-Difluoro-5-hydroxybenzaldehyde)

3,4-Difluoro-5-hydroxybenzaldehyde is a fluorinated aromatic aldehyde with a hydroxyl substituent, offering unique reactivity and structural features for synthetic applications. The presence of fluorine atoms at the 3- and 4-positions enhances electrophilic aromatic substitution selectivity, while the 5-hydroxy group provides a versatile handle for further functionalization. This compound is particularly valuable in pharmaceutical and agrochemical research, where fluorinated intermediates are often sought for their metabolic stability and lipophilicity. Its well-defined structure and high purity make it suitable for use in cross-coupling reactions, heterocycle synthesis, and as a building block for advanced materials. The compound’s stability under standard conditions ensures reliable performance in diverse synthetic workflows.
3,4-Difluoro-5-hydroxybenzaldehyde structure
887584-91-0 structure
Product Name:3,4-Difluoro-5-hydroxybenzaldehyde
CAS No:887584-91-0
MF:C7H4F2O2
MW:158.102269172668
MDL:MFCD04972451
CID:1089907
PubChem ID:40427019
Update Time:2025-11-06

3,4-Difluoro-5-hydroxybenzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 3,4-Difluoro-5-hydroxybenzaldehyde
    • 3,4-Difluoro-5-hydroxybenzaldehyde (ACI)
    • CL9043
    • MFCD04972451
    • 4,5-Difluoro-3-hydroxybenzaldehyde
    • SCHEMBL18002614
    • AKOS006229517
    • DB-135914
    • AB21039
    • DS-3037
    • DTXSID40654223
    • SY317013
    • 887584-91-0
    • CS-W021797
    • MDL: MFCD04972451
    • Inchi: 1S/C7H4F2O2/c8-5-1-4(3-10)2-6(11)7(5)9/h1-3,11H
    • InChI Key: AHLQVIZDRGIKHH-UHFFFAOYSA-N
    • SMILES: O=CC1C=C(O)C(F)=C(F)C=1

Computed Properties

  • Exact Mass: 158.01793569g/mol
  • Monoisotopic Mass: 158.01793569g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 151
  • 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: 1.2
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Boiling Point: 237.3±35.0°C at 760 mmHg

3,4-Difluoro-5-hydroxybenzaldehyde Security Information

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3,4-Difluoro-5-hydroxybenzaldehyde Related Literature

Additional information on 3,4-Difluoro-5-hydroxybenzaldehyde

Research Briefing on 3,4-Difluoro-5-hydroxybenzaldehyde (CAS: 887584-91-0) in Chemical and Biomedical Applications

3,4-Difluoro-5-hydroxybenzaldehyde (CAS: 887584-91-0) is a fluorinated aromatic aldehyde that has garnered significant attention in recent years due to its versatile applications in medicinal chemistry, drug discovery, and material science. This compound serves as a key intermediate in the synthesis of various bioactive molecules, particularly those targeting enzyme inhibition and receptor modulation. The presence of fluorine atoms and a hydroxyl group in its structure enhances its reactivity and binding affinity, making it a valuable scaffold for pharmaceutical development.

Recent studies have explored the synthetic routes and optimization strategies for 3,4-Difluoro-5-hydroxybenzaldehyde, with a focus on improving yield and purity. One notable advancement involves the use of palladium-catalyzed cross-coupling reactions, which have demonstrated high efficiency in introducing fluorine substituents at specific positions on the benzene ring. Additionally, green chemistry approaches, such as microwave-assisted synthesis, have been employed to reduce reaction times and environmental impact while maintaining high product quality.

In the context of drug discovery, 3,4-Difluoro-5-hydroxybenzaldehyde has been utilized as a precursor for the development of novel kinase inhibitors and antimicrobial agents. For instance, derivatives of this compound have shown promising activity against resistant bacterial strains, with minimal cytotoxicity to human cells. Computational modeling and structure-activity relationship (SAR) studies have further elucidated the molecular interactions responsible for its efficacy, providing a foundation for the design of next-generation therapeutics.

Beyond pharmaceuticals, 3,4-Difluoro-5-hydroxybenzaldehyde has found applications in material science, particularly in the synthesis of advanced polymers and liquid crystals. Its ability to form stable hydrogen bonds and its electronic properties make it suitable for creating materials with tailored optical and mechanical characteristics. Recent research has highlighted its potential in the development of organic light-emitting diodes (OLEDs) and sensors, where its fluorinated structure contributes to enhanced performance and durability.

Despite these advancements, challenges remain in the large-scale production and application of 3,4-Difluoro-5-hydroxybenzaldehyde. Issues such as cost-effectiveness, scalability, and regulatory compliance need to be addressed to fully realize its potential. Future research directions may include the exploration of novel catalytic systems, the development of more sustainable synthetic methods, and the expansion of its applications in emerging fields such as nanotechnology and biotechnology.

In conclusion, 3,4-Difluoro-5-hydroxybenzaldehyde (CAS: 887584-91-0) represents a compound of significant interest in the chemical and biomedical sciences. Its unique structural features and diverse applications underscore its importance as a building block for innovative solutions in drug development and material engineering. Continued research and collaboration across disciplines will be essential to unlocking its full potential and addressing the challenges associated with its use.

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