Cas no 71338-62-0 (1-2-(4-Bromophenyl)-4-methyl-1,3-thiazol-5-ylethan-1-one)

1-2-(4-Bromophenyl)-4-methyl-1,3-thiazol-5-ylethan-1-one is a brominated thiazole derivative with significant utility in organic synthesis and pharmaceutical research. Its structural features, including the 4-bromophenyl and methyl-thiazole moieties, make it a valuable intermediate for constructing complex heterocyclic compounds. The presence of the bromine atom enhances reactivity in cross-coupling reactions, such as Suzuki or Heck couplings, facilitating further functionalization. This compound is particularly useful in medicinal chemistry for the development of bioactive molecules, owing to its potential as a scaffold for kinase inhibitors or antimicrobial agents. High purity and stability under standard conditions ensure reliable performance in synthetic applications. Proper handling and storage are recommended to maintain its integrity.
1-2-(4-Bromophenyl)-4-methyl-1,3-thiazol-5-ylethan-1-one structure
71338-62-0 structure
Product Name:1-2-(4-Bromophenyl)-4-methyl-1,3-thiazol-5-ylethan-1-one
CAS No:71338-62-0
MF:C12H10BrNOS
MW:296.182900905609
CID:2670784
PubChem ID:537858
Update Time:2025-06-15

1-2-(4-Bromophenyl)-4-methyl-1,3-thiazol-5-ylethan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-[2-(4-Bromophenyl)-4-methyl-5-thiazolyl]ethanone
    • 1-2-(4-Bromophenyl)-4-methyl-1,3-thiazol-5-ylethan-1-one
    • NCGC00333795-01
    • AKOS008947080
    • 71338-62-0
    • AB01323686-02
    • 1-[2-(4-Bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone #
    • Ethanone, 1-[2-(4-bromophenyl)-4-methyl-5-thiazolyl]-
    • 1-[2-(4-Bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
    • 1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
    • WCA33862
    • G21386
    • EN300-67448
    • GSDSMPMKVBKTCM-UHFFFAOYSA-N
    • Z48855813
    • Inchi: 1S/C12H10BrNOS/c1-7-11(8(2)15)16-12(14-7)9-3-5-10(13)6-4-9/h3-6H,1-2H3
    • InChI Key: GSDSMPMKVBKTCM-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)C1=NC(C)=C(C(C)=O)S1

Computed Properties

  • Exact Mass: 294.96665Da
  • Monoisotopic Mass: 294.96665Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 266
  • 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: 3.7
  • Topological Polar Surface Area: 58.2?2

1-2-(4-Bromophenyl)-4-methyl-1,3-thiazol-5-ylethan-1-one Pricemore >>

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Additional information on 1-2-(4-Bromophenyl)-4-methyl-1,3-thiazol-5-ylethan-1-one

Comprehensive Overview of 1-2-(4-Bromophenyl)-4-methyl-1,3-thiazol-5-ylethan-1-one (CAS No. 71338-62-0)

1-2-(4-Bromophenyl)-4-methyl-1,3-thiazol-5-ylethan-1-one (CAS No. 71338-62-0) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This bromophenyl thiazole derivative is characterized by its unique molecular structure, which combines a thiazole ring with a bromophenyl group, making it a valuable intermediate in synthetic chemistry. Researchers are increasingly exploring its potential applications due to its bioactive properties and versatility in drug discovery.

The compound's CAS No. 71338-62-0 serves as a critical identifier in chemical databases, ensuring accurate referencing in academic and industrial settings. Its IUPAC name, 1-2-(4-Bromophenyl)-4-methyl-1,3-thiazol-5-ylethan-1-one, reflects its precise structural configuration, which includes a methyl-substituted thiazole and a ketone functional group. These features contribute to its reactivity and potential utility in designing small-molecule inhibitors or fluorescent probes for biological studies.

In recent years, the demand for heterocyclic compounds like 1-2-(4-Bromophenyl)-4-methyl-1,3-thiazol-5-ylethan-1-one has surged, driven by advancements in medicinal chemistry and material science. Its bromine atom offers opportunities for further functionalization via cross-coupling reactions, a topic frequently searched by synthetic chemists. Additionally, its thiazole core aligns with trends in developing antimicrobial agents and kinase inhibitors, addressing global health challenges such as antibiotic resistance and cancer therapy.

From an SEO perspective, queries like "thiazole derivatives uses" or "bromophenyl compounds in drug development" highlight user interest in this niche. The compound's role in high-throughput screening and structure-activity relationship (SAR) studies further enhances its relevance. Analytical techniques such as NMR spectroscopy and HPLC purification are often employed to characterize CAS No. 71338-62-0, ensuring purity for research applications.

Environmental and regulatory considerations are also pivotal. While not classified as hazardous, proper handling of 1-2-(4-Bromophenyl)-4-methyl-1,3-thiazol-5-ylethan-1-one is essential to maintain laboratory safety. Its logP value and solubility profile are frequently analyzed to predict bioavailability, a key factor in pharmacokinetic studies. These aspects resonate with researchers seeking ADME/Tox data for preclinical development.

In summary, 1-2-(4-Bromophenyl)-4-methyl-1,3-thiazol-5-ylethan-1-one (CAS No. 71338-62-0) represents a compelling case study in modern chemistry. Its structural elegance and functional adaptability position it as a cornerstone in rational drug design and materials innovation. As interdisciplinary research expands, this compound is poised to play a transformative role in addressing unmet scientific and industrial needs.

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