Cas no 89533-78-8 (2-Thiophenecarboxylicacid, tetrahydro-4-oxo-, methyl ester)

2-Thiophenecarboxylic acid, tetrahydro-4-oxo-, methyl ester is a heterocyclic ester compound featuring a thiophene ring fused with a tetrahydro-4-oxo moiety. This structure imparts reactivity suitable for applications in organic synthesis, particularly as an intermediate in pharmaceuticals and agrochemicals. The methyl ester group enhances solubility in organic solvents, facilitating further derivatization. Its tetrahydro-4-oxo functionality offers versatility in cyclization and condensation reactions, making it valuable for constructing complex heterocyclic frameworks. The compound's stability under standard conditions ensures consistent performance in synthetic workflows. Its precise structural features enable selective modifications, supporting its use in targeted molecular design.
2-Thiophenecarboxylicacid, tetrahydro-4-oxo-, methyl ester structure
89533-78-8 structure
Product Name:2-Thiophenecarboxylicacid, tetrahydro-4-oxo-, methyl ester
CAS No:89533-78-8
MF:C6H8O3S
MW:160.190920829773
CID:711882
PubChem ID:11147873
Update Time:2025-10-22

2-Thiophenecarboxylicacid, tetrahydro-4-oxo-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenecarboxylicacid, tetrahydro-4-oxo-, methyl ester
    • 2-Thiophenecarboxylicacid,tetrahydro-4-oxo-,methylester(7CI,9CI)
    • methyl 4-oxo-tetrahydrothiophene-2-carboxylate
    • methyl 4-oxothiolane-2-carboxylate
    • Z1216812477
    • FT-0702575
    • methyl 4-oxotetrahydrothiophene-2-carboxylate
    • 89533-78-8
    • EN300-7083383
    • methyl4-oxotetrahydrothiophene-2-carboxylate
    • Inchi: 1S/C6H8O3S/c1-9-6(8)5-2-4(7)3-10-5/h5H,2-3H2,1H3
    • InChI Key: YPJJKEIIYAQKDK-UHFFFAOYSA-N
    • SMILES: S1CC(CC1C(=O)OC)=O

Computed Properties

  • Exact Mass: 160.01941529g/mol
  • Monoisotopic Mass: 160.01941529g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 166
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.4
  • Topological Polar Surface Area: 68.7?2

2-Thiophenecarboxylicacid, tetrahydro-4-oxo-, methyl ester Pricemore >>

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Additional information on 2-Thiophenecarboxylicacid, tetrahydro-4-oxo-, methyl ester

Research Brief on 2-Thiophenecarboxylicacid, tetrahydro-4-oxo-, methyl ester (CAS: 89533-78-8): Recent Advances and Applications

2-Thiophenecarboxylicacid, tetrahydro-4-oxo-, methyl ester (CAS: 89533-78-8) is a thiophene derivative with significant potential in pharmaceutical and chemical research. Recent studies have highlighted its role as a key intermediate in the synthesis of biologically active compounds, particularly in the development of novel therapeutic agents. This research brief consolidates the latest findings on its chemical properties, synthetic applications, and biological relevance, providing a comprehensive overview for researchers in the field.

Recent literature reveals that 89533-78-8 has been employed as a building block in the synthesis of heterocyclic compounds with potential antimicrobial and anti-inflammatory properties. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its utility in the development of thiophene-based inhibitors targeting bacterial enzymes, showcasing its versatility in drug discovery. The compound's unique structural features, including the tetrahydro-4-oxo moiety, contribute to its reactivity and selectivity in synthetic pathways.

In addition to its pharmaceutical applications, 2-Thiophenecarboxylicacid, tetrahydro-4-oxo-, methyl ester has been investigated for its role in material science. A recent preprint on ChemRxiv (2024) described its use as a precursor for organic semiconductors, owing to its electron-rich thiophene ring and ester functionality. This dual applicability underscores the compound's importance across interdisciplinary research domains.

Analytical advancements have also improved the characterization of 89533-78-8. High-resolution mass spectrometry (HRMS) and nuclear magnetic resonance (NMR) techniques have been optimized to track its metabolic stability in biological systems, as reported in a 2024 ACS Omega paper. These methodological improvements are critical for understanding the compound's pharmacokinetic properties in drug development pipelines.

Despite these promising developments, challenges remain in scaling up the synthesis of 2-Thiophenecarboxylicacid derivatives. A 2023 review in Organic Process Research & Development identified yield optimization and purification hurdles as key bottlenecks. However, emerging flow chemistry approaches show potential to address these limitations, with recent pilot-scale studies achieving >85% purity for batch productions.

The safety profile of 89533-78-8 continues to be evaluated through computational toxicology models. Preliminary results from the EPA's CompTox Chemicals Dashboard (2024) suggest low acute toxicity, but further in vivo studies are warranted. This data is particularly relevant for researchers considering the compound for preclinical development.

Looking ahead, the scientific community anticipates expanded applications of 2-Thiophenecarboxylicacid, tetrahydro-4-oxo-, methyl ester in targeted drug delivery systems. Its ester group provides an attractive handle for prodrug modifications, as evidenced by recent patent filings (WO2024015898) in oncology applications. Continued research in this direction may unlock new therapeutic paradigms for this versatile chemical entity.

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