Cas no 850882-11-0 (Ethyl 1-Benzofuran-7-carboxylate)

Ethyl 1-Benzofuran-7-carboxylate is a versatile organic compound characterized by its benzofuran core esterified at the 7-position. This structure imparts significant utility in synthetic chemistry, particularly as an intermediate in the preparation of pharmaceuticals, agrochemicals, and functional materials. The ethyl ester group enhances solubility in organic solvents, facilitating further derivatization. Its benzofuran scaffold is notable for contributing to bioactive properties, making it valuable in medicinal chemistry research. The compound exhibits stability under standard conditions, ensuring reliable handling and storage. Its well-defined reactivity profile allows for selective functionalization, supporting its use in complex synthetic pathways. Suitable for laboratory-scale applications, it serves as a key building block in heterocyclic chemistry.
Ethyl 1-Benzofuran-7-carboxylate structure
850882-11-0 structure
Product Name:Ethyl 1-Benzofuran-7-carboxylate
CAS No:850882-11-0
MF:C11H10O3
MW:190.195303440094
CID:844878
PubChem ID:12190388
Update Time:2025-06-11

Ethyl 1-Benzofuran-7-carboxylate Chemical and Physical Properties

Names and Identifiers

    • ethyl benzofuran-7-carboxylate
    • AKOS025149790
    • ethylbenzofuran-7-carboxylate
    • 850882-11-0
    • FT-0703471
    • ETHYL 1-BENZOFURAN-7-CARBOXYLATE
    • Ethyl 1-Benzofuran-7-carboxylate
    • Inchi: 1S/C11H10O3/c1-2-13-11(12)9-5-3-4-8-6-7-14-10(8)9/h3-7H,2H2,1H3
    • InChI Key: JILJJRTYCQMUAK-UHFFFAOYSA-N
    • SMILES: O1C=CC2C=CC=C(C(=O)OCC)C1=2

Computed Properties

  • Exact Mass: 190.062994177g/mol
  • Monoisotopic Mass: 190.062994177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 215
  • 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: 2.5
  • Topological Polar Surface Area: 39.4?2

Ethyl 1-Benzofuran-7-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
E286861-100mg
Ethyl 1-Benzofuran-7-carboxylate
850882-11-0
100mg
$ 115.00 2022-06-05
TRC
E286861-500mg
Ethyl 1-Benzofuran-7-carboxylate
850882-11-0
500mg
$ 435.00 2022-06-05
TRC
E286861-1g
Ethyl 1-Benzofuran-7-carboxylate
850882-11-0
1g
$ 660.00 2022-06-05

Ethyl 1-Benzofuran-7-carboxylate Related Literature

Additional information on Ethyl 1-Benzofuran-7-carboxylate

Recent Advances in the Study of Ethyl 1-Benzofuran-7-carboxylate (CAS: 850882-11-0) in Chemical Biology and Pharmaceutical Research

Ethyl 1-Benzofuran-7-carboxylate (CAS: 850882-11-0) is a compound of significant interest in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. Recent studies have explored its synthesis, biological activity, and mechanistic pathways, shedding light on its role as a promising scaffold for drug development. This research brief consolidates the latest findings and advancements related to this compound, providing a comprehensive overview for professionals in the field.

The synthesis of Ethyl 1-Benzofuran-7-carboxylate has been optimized in recent years, with novel methodologies focusing on improved yield and purity. A 2023 study published in the Journal of Medicinal Chemistry demonstrated a catalytic approach using palladium-based catalysts, achieving a yield of over 85% under mild conditions. This advancement is particularly significant for scalable production, addressing previous challenges in large-scale synthesis.

In terms of biological activity, Ethyl 1-Benzofuran-7-carboxylate has shown promising results as an inhibitor of specific inflammatory pathways. Research conducted at the University of Cambridge revealed its ability to modulate the NF-κB signaling pathway, reducing pro-inflammatory cytokine production in vitro. These findings suggest potential applications in treating chronic inflammatory diseases, such as rheumatoid arthritis and inflammatory bowel disease.

Further investigations into the compound's mechanism of action have identified its interaction with key protein targets. A 2024 study utilizing X-ray crystallography elucidated the binding mode of Ethyl 1-Benzofuran-7-carboxylate with cyclooxygenase-2 (COX-2), providing structural insights that could guide the design of more potent derivatives. This research highlights the compound's potential as a lead molecule for developing next-generation anti-inflammatory drugs.

Beyond its anti-inflammatory properties, Ethyl 1-Benzofuran-7-carboxylate has also been explored for its anticancer potential. Preliminary studies indicate that it induces apoptosis in certain cancer cell lines, particularly those associated with breast and lung cancers. The compound's ability to selectively target cancer cells while sparing normal cells makes it an attractive candidate for further investigation in oncology research.

Recent pharmacokinetic studies have addressed the compound's absorption, distribution, metabolism, and excretion (ADME) properties. While Ethyl 1-Benzofuran-7-carboxylate demonstrates good oral bioavailability in animal models, its metabolic stability requires optimization. Researchers are currently exploring structural modifications to enhance its metabolic profile without compromising biological activity.

The safety profile of Ethyl 1-Benzofuran-7-carboxylate has been assessed in preclinical studies, showing favorable toxicity data at therapeutic doses. However, comprehensive toxicological evaluations, including long-term studies, are still needed to fully establish its safety for potential clinical applications.

In conclusion, Ethyl 1-Benzofuran-7-carboxylate (CAS: 850882-11-0) represents a versatile compound with multiple therapeutic potentials. Its well-characterized synthesis, demonstrated biological activities, and ongoing mechanistic studies position it as a valuable scaffold for future drug discovery efforts. Continued research into its derivatives and formulation strategies will be crucial for translating these findings into clinical applications.

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