Cas no 1021910-48-4 (4-(4-methyl-1,3-thiazol-5-yl)but-3-en-2-one)

4-(4-Methyl-1,3-thiazol-5-yl)but-3-en-2-one is a versatile intermediate in organic synthesis, featuring a conjugated enone system linked to a methyl-substituted thiazole moiety. This structural motif imparts reactivity suitable for further functionalization, making it valuable in the development of pharmaceuticals, agrochemicals, and specialty chemicals. The compound’s α,β-unsaturated carbonyl group allows for Michael additions and cycloadditions, while the thiazole ring enhances its potential as a heterocyclic building block. Its stability under standard conditions and compatibility with a range of synthetic methodologies underscore its utility in research and industrial applications. This compound is particularly relevant in medicinal chemistry for designing bioactive molecules with tailored properties.
4-(4-methyl-1,3-thiazol-5-yl)but-3-en-2-one structure
1021910-48-4 structure
Product Name:4-(4-methyl-1,3-thiazol-5-yl)but-3-en-2-one
CAS No:1021910-48-4
MF:C8H9NOS
MW:167.228160619736
CID:1096610
PubChem ID:65719771
Update Time:2025-06-11

4-(4-methyl-1,3-thiazol-5-yl)but-3-en-2-one Chemical and Physical Properties

Names and Identifiers

    • 4-(4-methyl-5-thiazolyl)-3-Buten-2-one
    • 4-(4-methyl-1,3-thiazol-5-yl)but-3-en-2-one
    • 4-(4-Methylthiazol-5-yl)but-3-en-2-one
    • 1021910-48-4
    • CS-0274605
    • EN300-1854314
    • SCHEMBL4574402
    • Inchi: 1S/C8H9NOS/c1-6(10)3-4-8-7(2)9-5-11-8/h3-5H,1-2H3/b4-3+
    • InChI Key: GFKKHCJTSPUWGP-ONEGZZNKSA-N
    • SMILES: S1C=NC(C)=C1/C=C/C(C)=O

Computed Properties

  • Exact Mass: 167.04048508g/mol
  • Monoisotopic Mass: 167.04048508g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 179
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 58.2?2

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4-(4-methyl-1,3-thiazol-5-yl)but-3-en-2-one Related Literature

Additional information on 4-(4-methyl-1,3-thiazol-5-yl)but-3-en-2-one

Introduction to 4-(4-methyl-1,3-thiazol-5-yl)but-3-en-2-one (CAS No. 1021910-48-4)

4-(4-methyl-1,3-thiazol-5-yl)but-3-en-2-one is a significant compound in the field of chemical and pharmaceutical research, characterized by its unique molecular structure and potential biological activities. This compound, identified by the CAS number 1021910-48-4, has garnered attention due to its structural features and its implications in various scientific applications. The presence of a thiazole ring and an α,β-unsaturated ketone moiety makes it a versatile scaffold for further chemical modifications and biological evaluations.

The compound’s molecular formula and structural configuration contribute to its reactivity and potential utility in drug discovery. The thiazole moiety is a well-known pharmacophore found in numerous bioactive molecules, including antibiotics, antifungals, and anti-inflammatory agents. Its incorporation into the molecular framework of 4-(4-methyl-1,3-thiazol-5-yl)but-3-en-2-one suggests that this compound may exhibit similar biological properties or serve as a precursor for the synthesis of more complex derivatives.

In recent years, there has been growing interest in exploring the pharmacological potential of heterocyclic compounds, particularly those containing thiazole derivatives. The α,β-unsaturated ketone group in 4-(4-methyl-1,3-thiazol-5-yl)but-3-en-2-one can participate in various chemical reactions, such as Michael addition and condensation reactions, which are often exploited in medicinal chemistry to develop new therapeutic agents. This structural feature makes it a valuable candidate for further investigation in synthetic chemistry.

Recent studies have highlighted the importance of thiazole-based compounds in addressing various diseases. For instance, derivatives of thiazole have been investigated for their antimicrobial, anti-inflammatory, and anticancer properties. The compound 4-(4-methyl-1,3-thiazol-5-yl)but-3-en-2-one, with its unique structural attributes, may offer new insights into these therapeutic areas. Researchers have been exploring its potential as an intermediate in the synthesis of novel drugs targeting specific biological pathways.

The synthesis of 4-(4-methyl-1,3-thiazol-5-yl)but-3-en-2-one involves multi-step organic reactions that require careful optimization to achieve high yields and purity. The introduction of the thiazole ring into the butenone backbone necessitates precise control over reaction conditions to avoid unwanted side products. Advances in synthetic methodologies have enabled more efficient and scalable production of this compound, facilitating its use in both academic research and industrial applications.

The biological activity of 4-(4-methyl-1,3-thiazol-5-yb-butienenone is another area of active investigation. Preliminary studies suggest that this compound may exhibit inhibitory effects on certain enzymes and receptors involved in disease processes. These findings are particularly intriguing given the broad spectrum of activities observed with other thiazole derivatives. Further research is needed to elucidate the exact mechanisms of action and to identify potential therapeutic applications.

In conclusion, 4-(4-methyl-l.thi-a-zol~5-yI)but~en~one (CAS No. 1021910·48·4) is a promising compound with significant potential in pharmaceutical research. Its unique structural features and reported biological activities make it a valuable scaffold for developing new drugs. As our understanding of heterocyclic chemistry continues to evolve, compounds like this one will play an increasingly important role in addressing unmet medical needs.

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