Cas no 2167496-52-6 (1-(furan-2-yl)bicyclo2.1.1hexane-5-carboxylic acid)

1-(Furan-2-yl)bicyclo[2.1.1]hexane-5-carboxylic acid is a bicyclic carboxylic acid derivative featuring a furan substituent, offering a unique structural motif for synthetic and medicinal chemistry applications. Its rigid bicyclo[2.1.1]hexane framework provides steric constraint, which can enhance binding selectivity in drug design or serve as a scaffold for novel materials. The furan ring introduces potential for further functionalization via electrophilic aromatic substitution or metal-catalyzed coupling reactions. The carboxylic acid group allows for straightforward derivatization into esters, amides, or other derivatives, expanding its utility in organic synthesis. This compound may be of interest in the development of bioactive molecules or as a building block for complex molecular architectures.
1-(furan-2-yl)bicyclo2.1.1hexane-5-carboxylic acid structure
2167496-52-6 structure
Product Name:1-(furan-2-yl)bicyclo2.1.1hexane-5-carboxylic acid
CAS No:2167496-52-6
MF:C11H12O3
MW:192.211183547974
CID:4787260
PubChem ID:132427846
Update Time:2025-10-30

1-(furan-2-yl)bicyclo2.1.1hexane-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-(Furan-2-yl)bicyclo[2.1.1]hexane-5-carboxylic acid
    • 1-(furan-2-yl)bicyclo2.1.1hexane-5-carboxylic acid
    • Inchi: 1S/C11H12O3/c12-10(13)9-7-3-4-11(9,6-7)8-2-1-5-14-8/h1-2,5,7,9H,3-4,6H2,(H,12,13)
    • InChI Key: LYWKPQUHILRBEF-UHFFFAOYSA-N
    • SMILES: O1C=CC=C1C12CCC(C1)C2C(=O)O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 276
  • XLogP3: 1.7
  • Topological Polar Surface Area: 50.4

1-(furan-2-yl)bicyclo2.1.1hexane-5-carboxylic acid Pricemore >>

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Additional information on 1-(furan-2-yl)bicyclo2.1.1hexane-5-carboxylic acid

Exploring 1-(furan-2-yl)bicyclo[2.1.1]hexane-5-carboxylic acid (CAS No. 2167496-52-6): A Versatile Building Block in Modern Organic Synthesis

In the realm of organic chemistry, 1-(furan-2-yl)bicyclo[2.1.1]hexane-5-carboxylic acid (CAS No. 2167496-52-6) has emerged as a structurally unique and functionally diverse compound. Its bicyclic framework combined with a furan moiety and carboxylic acid group makes it a valuable intermediate for pharmaceutical research, materials science, and agrochemical applications. This article delves into its molecular properties, synthetic utility, and relevance to current trends like green chemistry and bioactive scaffold design.

The compound’s CAS number 2167496-52-6 is frequently searched in chemical databases, reflecting its growing importance. Researchers are particularly interested in its strain-release reactivity, a property derived from its bicyclo[2.1.1]hexane core, which enables novel bond-forming reactions. Recent studies highlight its potential in drug discovery, where its rigid structure can improve molecular docking efficiency—a hot topic in AI-driven drug design.

From a synthetic perspective, the furan-2-yl substituent offers opportunities for cross-coupling reactions, a staple in modern catalysis research. The carboxylic acid group further allows derivatization into esters, amides, or other functional groups, aligning with the demand for modular synthesis in high-throughput screening. These features resonate with industry needs for fragment-based drug discovery (FBDD), a trending approach to accelerate lead optimization.

Environmental considerations are also paramount. The compound’s potential for biobased derivatization—leveraging the furan ring as a renewable feedstock—fits the sustainability narrative. Queries like “eco-friendly bicyclic compounds” or “furan-containing green solvents” reflect this shift, positioning CAS 2167496-52-6 as a candidate for green chemistry applications.

In materials science, the compound’s rigid bicyclic structure is explored for polymeric networks and ligand design. Its ability to impart steric constraints is valuable in metal-organic frameworks (MOFs), a field with rising Google Trends interest. Meanwhile, its pharmacophore potential ties into searches for “new heterocyclic drug scaffolds,” underscoring its interdisciplinary appeal.

Analytical challenges and solutions are another focus. Techniques like NMR spectroscopy and LC-MS are essential for characterizing 1-(furan-2-yl)bicyclo[2.1.1]hexane-5-carboxylic acid, topics often paired with “structural elucidation” in academic searches. The compound’s chromatographic behavior also attracts attention in method development circles.

In summary, CAS 2167496-52-6 exemplifies innovation at the intersection of structure-activity relationships and sustainable chemistry. Its multifaceted applications—from medicinal chemistry to smart materials—ensure its continued relevance in both industrial and academic research, answering today’s demand for functional diversity and eco-conscious synthesis.

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