Cas no 590360-21-7 (5-chloro-2-[(2-fluorophenyl)methoxy]benzaldehyde)

5-Chloro-2-[(2-fluorophenyl)methoxy]benzaldehyde is a versatile aromatic aldehyde with a chloro-substituted benzaldehyde core and a 2-fluorobenzyl ether moiety. This compound is of interest in synthetic organic chemistry due to its bifunctional reactivity, offering both electrophilic (aldehyde) and nucleophilic (ether) sites for further derivatization. The presence of halogen substituents (chloro and fluoro) enhances its utility in cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings, facilitating the construction of complex molecular architectures. Its structural features make it a valuable intermediate in pharmaceutical and agrochemical research, particularly for developing bioactive molecules. The compound exhibits moderate stability under standard conditions, allowing for straightforward handling in laboratory settings.
5-chloro-2-[(2-fluorophenyl)methoxy]benzaldehyde structure
590360-21-7 structure
Product Name:5-chloro-2-[(2-fluorophenyl)methoxy]benzaldehyde
CAS No:590360-21-7
MF:C14H10ClFO2
MW:264.679406642914
MDL:MFCD03422425
CID:879171
Update Time:2026-04-29

5-chloro-2-[(2-fluorophenyl)methoxy]benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 5-Chloro-2-((2-fluorobenzyl)oxy)benzaldehyde
    • 5-Chloro-2-[(2-fluorobenzyl)oxy]benzaldehyde
    • 5-chloro-2-[(2-fluorophenyl)methoxy]benzaldehyde
    • AC1MYJSN
    • ALBB-001248
    • BBL014011
    • CTK5A9254
    • MolPort-000-889-726
    • SBB030155
    • STK411657
    • MDL： MFCD03422425
    • Inchi： InChI=1S/C14H10ClFO2/c15-12-5-6-14(11(7-12)8-17)18-9-10-3-1-2-4-13(10)16/h1-8H,9H2
    • InChI Key： VQGLLNFLRDGROY-UHFFFAOYSA-N
    • SMILES： C1=CC=C(C(=C1)COC2=CC=C(C=C2C=O)Cl)F

Computed Properties

  • Exact Mass: 264.03500
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4

Experimental Properties

  • PSA: 26.30000
  • LogP: 3.87060

5-chloro-2-[(2-fluorophenyl)methoxy]benzaldehyde Security Information

  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT

5-chloro-2-[(2-fluorophenyl)methoxy]benzaldehyde Customs Data

  • HS CODE：2913000090
  • Customs Data：

    China Customs Code:

    2913000090

    Overview:

    2913000090 Item2912Other derivatives of the listed products [refer to halogenation,sulfonation,Nitrosative or nitrosative derivatives]. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

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5-chloro-2-[(2-fluorophenyl)methoxy]benzaldehyde Related Literature

Additional information on 5-chloro-2-[(2-fluorophenyl)methoxy]benzaldehyde

Comprehensive Overview of 5-Chloro-2-[(2-Fluorophenyl)methoxy]benzaldehyde (CAS No. 590360-21-7)

5-Chloro-2-[(2-fluorophenyl)methoxy]benzaldehyde (CAS No. 590360-21-7) is a specialized organic compound with significant applications in pharmaceutical and agrochemical research. This compound, characterized by its unique benzaldehyde core substituted with a chloro group and a fluorophenyl methoxy moiety, has garnered attention for its potential in drug discovery and material science. Researchers are increasingly exploring its derivatives for their bioactive properties, particularly in the development of novel enzyme inhibitors and antimicrobial agents.

The structural complexity of 5-chloro-2-[(2-fluorophenyl)methoxy]benzaldehyde makes it a valuable intermediate in synthetic chemistry. Its electron-withdrawing and electron-donating substituents contribute to its reactivity, enabling diverse chemical transformations. Recent studies highlight its role in the synthesis of heterocyclic compounds, which are pivotal in designing biodegradable materials and green chemistry applications. As sustainability becomes a global priority, this compound aligns with the demand for eco-friendly chemical processes.

In the context of drug development, 590360-21-7 has been investigated for its potential to modulate biological pathways. Its fluorine and chlorine atoms enhance binding affinity to target proteins, a feature leveraged in medicinal chemistry. With the rise of personalized medicine, researchers are probing its utility in small-molecule therapeutics, particularly for conditions like metabolic disorders and inflammatory diseases. These applications resonate with current trends in precision healthcare.

From an industrial perspective, 5-chloro-2-[(2-fluorophenyl)methoxy]benzaldehyde is synthesized via multistep organic reactions, often involving palladium-catalyzed cross-coupling or nucleophilic aromatic substitution. Optimizing its yield and purity remains a focus, driven by advancements in flow chemistry and catalytic systems. These innovations address the growing need for cost-effective and scalable production methods in fine chemicals.

Analytical techniques such as HPLC, NMR, and mass spectrometry are critical for characterizing CAS No. 590360-21-7. Its stability under varying pH and temperature conditions is also a key research area, especially for formulation scientists working on drug delivery systems. As AI-driven drug design gains traction, computational models are being employed to predict its interactions with biological targets, further expanding its potential.

The compound’s relevance extends to academic research, where it serves as a model substrate for studying structure-activity relationships (SAR). Its aromatic and electrophilic properties make it a versatile tool for teaching advanced organic synthesis principles. Educators and students alike benefit from its practical applications in laboratory settings.

In summary, 5-chloro-2-[(2-fluorophenyl)methoxy]benzaldehyde (CAS No. 590360-21-7) exemplifies the intersection of chemical innovation and applied science. Its multifaceted roles—from pharmaceutical intermediates to sustainable chemistry—highlight its importance in addressing contemporary scientific challenges. As research evolves, this compound is poised to remain at the forefront of cutting-edge discoveries.

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