Cas no 898772-32-2 (Ethyl 5-(1,3-dioxolan-2-yl)-2-thenoylformate)

Ethyl 5-(1,3-dioxolan-2-yl)-2-thenoylformate is a specialized organic compound featuring a thiophene core functionalized with a dioxolane-protected carbonyl group and an ethyl ester moiety. This structure confers versatility as a synthetic intermediate, particularly in the preparation of heterocyclic compounds and fine chemicals. The dioxolane group enhances stability under reactive conditions, while the ester functionality allows for further derivatization. Its well-defined reactivity profile makes it valuable in pharmaceutical and agrochemical research, where precise control over molecular architecture is critical. The compound is typically handled under inert conditions to preserve its integrity. Suitable for use in multi-step syntheses, it offers a balance of reactivity and stability for advanced applications.
Ethyl 5-(1,3-dioxolan-2-yl)-2-thenoylformate structure
898772-32-2 structure
Product Name:Ethyl 5-(1,3-dioxolan-2-yl)-2-thenoylformate
CAS No:898772-32-2
MF:C11H12O5S
MW:256.274982452393
MDL:MFCD07699084
CID:875514
PubChem ID:24723450
Update Time:2025-05-25

Ethyl 5-(1,3-dioxolan-2-yl)-2-thenoylformate Chemical and Physical Properties

Names and Identifiers

    • ethyl 2-[5-(1,3-dioxolan-2-yl)thiophen-2-yl]-2-oxoacetate
    • ETHYL 5-(1,3-DIOXOLAN-2-YL)-2-THENOYLFORMATE
    • 898772-32-2
    • MFCD07699084
    • Ethyl [5-(1,3-dioxolan-2-yl)thiophen-2-yl](oxo)acetate
    • DTXSID40641890
    • ETHYL5-(1,3-DIOXOLAN-2-YL)-2-THENOYLFORMATE
    • AKOS016018747
    • Ethyl 5-(1,3-dioxolan-2-yl)-2-thenoylformate
    • MDL： MFCD07699084
    • Inchi： 1S/C11H12O5S/c1-2-14-10(13)9(12)7-3-4-8(17-7)11-15-5-6-16-11/h3-4,11H,2,5-6H2,1H3
    • InChI Key： PYFVOMDXNHCLQA-UHFFFAOYSA-N
    • SMILES： S1C(C(C(=O)OCC)=O)=CC=C1C1OCCO1

Computed Properties

  • Exact Mass: 256.04054465g/mol
  • Monoisotopic Mass: 256.04054465g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 300
  • 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: 1.5
  • Topological Polar Surface Area: 90.1?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 389.4±42.0 °C at 760 mmHg
  • Flash Point: 189.3±27.9 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

Ethyl 5-(1,3-dioxolan-2-yl)-2-thenoylformate Security Information

Ethyl 5-(1,3-dioxolan-2-yl)-2-thenoylformate Pricemore >>

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Ethyl 5-(1,3-dioxolan-2-yl)-2-thenoylformate; .
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Ethyl 5-(1,3-dioxolan-2-yl)-2-thenoylformate Related Literature

Additional information on Ethyl 5-(1,3-dioxolan-2-yl)-2-thenoylformate

Comprehensive Overview of Ethyl 5-(1,3-dioxolan-2-yl)-2-thenoylformate (CAS No. 898772-32-2)

Ethyl 5-(1,3-dioxolan-2-yl)-2-thenoylformate (CAS No. 898772-32-2) is a specialized organic compound widely utilized in pharmaceutical and agrochemical research. Its unique structure, featuring a 1,3-dioxolane ring and a thiophene moiety, makes it a valuable intermediate in synthesizing bioactive molecules. Researchers and industries are increasingly interested in this compound due to its potential applications in drug discovery and material science.

The compound’s CAS No. 898772-32-2 is a critical identifier for regulatory and commercial purposes, ensuring precise tracking in global supply chains. Recent trends in green chemistry have spurred interest in optimizing its synthesis to reduce environmental impact. Keywords like "sustainable synthesis of Ethyl 5-(1,3-dioxolan-2-yl)-2-thenoylformate" and "applications of thiophene derivatives" reflect growing user queries in scientific databases and search engines.

One of the standout features of Ethyl 5-(1,3-dioxolan-2-yl)-2-thenoylformate is its role in heterocyclic chemistry. The 1,3-dioxolane group acts as a protective moiety for carbonyl functionalities, while the thiophene ring contributes to electronic and steric properties. This dual functionality aligns with current research hotspots, such as multi-functional intermediates and scaffold diversification in medicinal chemistry.

In the context of AI-driven drug discovery, this compound has garnered attention for its potential in high-throughput screening. Computational models often highlight thiophene-based compounds for their binding affinities, making CAS No. 898772-32-2 a subject of virtual library designs. Searches like "thiophene derivatives in machine learning for drug design" underscore this intersection of chemistry and technology.

From an industrial perspective, Ethyl 5-(1,3-dioxolan-2-yl)-2-thenoylformate is pivotal in producing crop protection agents. Its structural motifs are found in herbicides and fungicides, addressing the demand for eco-friendly agrochemicals. Queries such as "role of dioxolane derivatives in agriculture" and "thiophene-based agrochemicals" dominate niche forums and patent filings.

Quality control and analytical methods for CAS No. 898772-32-2 are also trending topics. Advanced techniques like HPLC-MS and NMR spectroscopy are employed to ensure purity, reflecting the emphasis on precision in chemical manufacturing. Users frequently search for "analytical protocols for Ethyl 5-(1,3-dioxolan-2-yl)-2-thenoylformate", highlighting the need for standardized protocols.

In summary, Ethyl 5-(1,3-dioxolan-2-yl)-2-thenoylformate (CAS No. 898772-32-2) bridges multiple scientific domains, from pharmaceutical innovation to sustainable agriculture. Its versatility and relevance to contemporary research themes ensure its continued prominence in both academic and industrial settings.

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