Cas no 886509-16-6 (3-(5-Formylfuran-2-yl)benzaldehyde)

3-(5-Formylfuran-2-yl)benzaldehyde is a bifunctional aromatic aldehyde compound featuring both a benzaldehyde and a formyl-substituted furan moiety. This structure makes it a versatile intermediate in organic synthesis, particularly for constructing heterocyclic frameworks and conjugated systems. Its dual aldehyde groups enable selective reactivity, facilitating applications in cross-coupling reactions, Schiff base formation, and polymer chemistry. The compound’s rigid aromatic backbone contributes to stability, while its functional groups allow for further derivatization. It is commonly employed in the development of pharmaceuticals, agrochemicals, and advanced materials. High purity grades ensure consistent performance in research and industrial processes.
3-(5-Formylfuran-2-yl)benzaldehyde structure
886509-16-6 structure
Product Name:3-(5-Formylfuran-2-yl)benzaldehyde
CAS No:886509-16-6
MF:C12H8O3
MW:200.190123558044
CID:993303
PubChem ID:7183223
Update Time:2025-06-11

3-(5-Formylfuran-2-yl)benzaldehyde Chemical and Physical Properties

Names and Identifiers

    • 3-(5-Formylfuran-2-yl)benzaldehyde
    • 5-(3-formylphenyl)furan-2-carbaldehyde
    • 5-(3-Formyl-phenyl)-furan-2-carbaldehyde
    • 886509-16-6
    • DTXSID10428372
    • SCHEMBL25977802
    • MDL: MFCD06740263
    • Inchi: 1S/C12H8O3/c13-7-9-2-1-3-10(6-9)12-5-4-11(8-14)15-12/h1-8H
    • InChI Key: AUTGTTOFPBKQAX-UHFFFAOYSA-N
    • SMILES: O1C(C=O)=CC=C1C1C=CC=C(C=O)C=1

Computed Properties

  • Exact Mass: 200.04700
  • Monoisotopic Mass: 200.047344113g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 239
  • 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: 1.9
  • Topological Polar Surface Area: 47.3?2

Experimental Properties

  • PSA: 47.28000
  • LogP: 2.57160

3-(5-Formylfuran-2-yl)benzaldehyde Pricemore >>

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Additional information on 3-(5-Formylfuran-2-yl)benzaldehyde

Professional Introduction to 3-(5-Formylfuran-2-yl)benzaldehyde (CAS No. 886509-16-6)

3-(5-Formylfuran-2-yl)benzaldehyde, a compound with the chemical identifier CAS No. 886509-16-6, is a significant molecule in the field of pharmaceutical chemistry and bioorganic synthesis. This aromatic aldehyde derivative, characterized by its unique structural features, has garnered considerable attention due to its versatile applications in drug development and synthetic methodologies. The compound's molecular framework, featuring a benzaldehyde moiety linked to a furan ring, positions it as a valuable intermediate in the synthesis of complex organic molecules.

The structural composition of 3-(5-Formylfuran-2-yl)benzaldehyde is highly conducive to participation in various chemical reactions, making it a cornerstone in the construction of pharmacophores. The presence of the formyl group (—CHO) on the furan ring enhances its reactivity, enabling it to engage in condensation reactions, oxidation processes, and polymerization mechanisms. These properties are particularly useful in medicinal chemistry, where such intermediates are often employed to build libraries of compounds for biological screening.

In recent years, there has been a surge in research focused on developing novel therapeutic agents that target intricate biological pathways. Among these pathways, those involving enzymes and receptors that play critical roles in diseases such as cancer, inflammation, and neurodegeneration have been extensively studied. 3-(5-Formylfuran-2-yl)benzaldehyde has emerged as a key building block in the synthesis of molecules designed to modulate these pathways. Its ability to serve as a precursor for more complex structures allows chemists to explore diverse chemical spaces efficiently.

One of the most compelling aspects of 3-(5-Formylfuran-2-yl)benzaldehyde is its role in the development of small-molecule inhibitors. These inhibitors are designed to bind selectively to specific targets within cells, thereby disrupting disease-causing processes. The benzaldehyde component of this compound provides a scaffold that can be modified to enhance binding affinity and selectivity. Furthermore, the furan ring introduces additional conformational flexibility, which can be exploited to fine-tune the pharmacokinetic properties of potential drug candidates.

The formyl group on the furan ring also facilitates the introduction of other functional groups through formylation or oxidation reactions. This reactivity has been leveraged in synthetic strategies that aim to create molecules with enhanced solubility or metabolic stability. Such attributes are crucial for ensuring that drug candidates can reach their targets effectively and exhibit prolonged therapeutic effects.

Advances in computational chemistry have further accelerated the utility of 3-(5-Formylfuran-2-yl)benzaldehyde in drug discovery. Molecular modeling techniques allow researchers to predict how this compound might interact with biological targets before conducting expensive wet-lab experiments. These predictions are often based on three-dimensional structures generated by computational methods, which can be refined using experimental data obtained from x-ray crystallography or nuclear magnetic resonance (NMR) spectroscopy.

The integration of machine learning algorithms into drug discovery pipelines has also enhanced the impact of compounds like 3-(5-Formylfuran-2-yl)benzaldehyde. These algorithms can analyze vast datasets containing information about molecular structures and their biological activities, identifying patterns that might not be apparent through traditional experimental approaches. By leveraging such tools, researchers can optimize synthetic routes more rapidly and identify promising candidates for further development.

In addition to its applications in pharmaceutical research, 3-(5-Formylfuran-2-yl)benzaldehyde has found utility in materials science and agrochemical development. Its unique structural features make it suitable for synthesizing polymers with specific optical or electronic properties. Similarly, derivatives of this compound have been explored as potential pesticides or herbicides due to their ability to interact with biological systems at the molecular level.

The synthesis of 3-(5-Formylfuran-2-yl)benzaldehyde typically involves multi-step organic transformations that highlight its versatility as an intermediate. Common synthetic routes include condensation reactions between furan derivatives and benzaldehyde precursors under controlled conditions. These reactions often require careful optimization to ensure high yields and purity, but advances in catalytic systems have made such processes more efficient and scalable.

The growing interest in green chemistry principles has also influenced how 3-(5-Formylfuran-2-yl)benzaldehyde is synthesized and utilized. Researchers are increasingly focusing on developing methodologies that minimize waste generation and reduce reliance on hazardous reagents or solvents. Such efforts align with broader trends toward sustainable practices within the chemical industry.

As our understanding of biological systems continues to evolve, so too will the applications of compounds like 3-(5 Formylfuran -2 yl)b enzal dehyde. Future research may uncover novel ways in which this molecule can be incorporated into therapeutic strategies or used as a foundation for next-generation materials. The ongoing interplay between organic synthesis and biomedical research ensures that intermediates such as this will remain integral components of innovative scientific endeavors for years to come.

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