Cas no 99768-18-0 (1-(3-Bromo-5-ethylthiophen-2-yl)ethan-1-one)

1-(3-Bromo-5-ethylthiophen-2-yl)ethan-1-one is a brominated thiophene derivative featuring an acetyl functional group at the 2-position and an ethyl substituent at the 5-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and functional materials. The presence of both bromine and carbonyl groups enhances its reactivity, enabling selective cross-coupling reactions and further functionalization. Its well-defined structure and high purity make it suitable for precise synthetic applications. The ethyl group contributes to improved solubility in organic solvents, facilitating handling in laboratory and industrial settings. This compound is valued for its stability and reliability in complex synthetic pathways.
1-(3-Bromo-5-ethylthiophen-2-yl)ethan-1-one structure
99768-18-0 structure
Product Name:1-(3-Bromo-5-ethylthiophen-2-yl)ethan-1-one
CAS No:99768-18-0
MF:C8H9BrOS
MW:233.125460386276
CID:1094276
PubChem ID:72942985
Update Time:2025-05-22

1-(3-Bromo-5-ethylthiophen-2-yl)ethan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(3-Bromo-5-ethylthiophen-2-yl)ethan-1-one
    • 1-(3-bromo-5-ethylthiophen-2-yl)ethanone
    • 99768-18-0
    • Inchi: 1S/C8H9BrOS/c1-3-6-4-7(9)8(11-6)5(2)10/h4H,3H2,1-2H3
    • InChI Key: HJVIBMLFCUZKNA-UHFFFAOYSA-N
    • SMILES: BrC1C=C(CC)SC=1C(C)=O

Computed Properties

  • Exact Mass: 231.95575g/mol
  • Monoisotopic Mass: 231.95575g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 160
  • 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: 3.1
  • Topological Polar Surface Area: 45.3?2

1-(3-Bromo-5-ethylthiophen-2-yl)ethan-1-one Pricemore >>

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Additional information on 1-(3-Bromo-5-ethylthiophen-2-yl)ethan-1-one

Comprehensive Overview of 1-(3-Bromo-5-ethylthiophen-2-yl)ethan-1-one (CAS No. 99768-18-0)

1-(3-Bromo-5-ethylthiophen-2-yl)ethan-1-one, with the CAS number 99768-18-0, is a specialized organic compound that has garnered significant attention in the fields of pharmaceutical research, agrochemical development, and material science. This compound, characterized by its brominated thiophene core and ethyl substitution, serves as a versatile intermediate in synthetic chemistry. Its unique structural features make it a valuable building block for the creation of more complex molecules, particularly in the design of heterocyclic compounds and functional materials.

The growing interest in 1-(3-Bromo-5-ethylthiophen-2-yl)ethan-1-one is reflected in the increasing number of searches related to "thiophene derivatives applications" and "brominated organic compounds synthesis." Researchers and industry professionals are particularly keen on understanding its role in drug discovery and agrochemical formulations. The compound's ability to act as a precursor for pharmacologically active molecules has made it a subject of numerous studies, especially in the context of developing new antimicrobial agents and anti-inflammatory drugs.

From a synthetic perspective, CAS 99768-18-0 is often utilized in cross-coupling reactions, such as Suzuki-Miyaura and Stille couplings, which are pivotal in modern organic synthesis. These reactions enable the introduction of various functional groups, expanding the compound's utility in creating customized molecular architectures. Additionally, its ethylthiophene moiety contributes to enhanced solubility and stability, making it a preferred choice for researchers working on advanced material science projects, including organic electronics and conductive polymers.

Environmental and sustainability concerns have also driven the demand for eco-friendly synthetic routes involving 1-(3-Bromo-5-ethylthiophen-2-yl)ethan-1-one. Recent trends show a surge in searches for "green chemistry thiophene derivatives" and "sustainable bromination methods," highlighting the need for minimizing hazardous byproducts. Innovations in catalytic processes and solvent-free reactions have further elevated the compound's profile, aligning with global efforts to reduce the environmental footprint of chemical manufacturing.

In the pharmaceutical sector, 99768-18-0 is frequently explored for its potential in targeted drug delivery systems. Its molecular structure allows for easy modification, enabling the development of bioactive compounds with improved efficacy and reduced side effects. This aligns with the current focus on personalized medicine and precision therapeutics, topics that dominate academic and industrial discussions. The compound's relevance is further underscored by its appearance in patents related to neurological disorders and metabolic diseases.

Another area where 1-(3-Bromo-5-ethylthiophen-2-yl)ethan-1-one shines is in the development of agrochemicals. With the rising demand for crop protection solutions, researchers are leveraging its thiophene-based framework to design novel pesticides and herbicides. The compound's bromine atom provides a reactive site for further functionalization, facilitating the creation of derivatives with enhanced biological activity. This has led to increased inquiries about "thiophene pesticides mode of action" and "brominated agrochemicals safety," reflecting its practical significance.

From a commercial standpoint, CAS No. 99768-18-0 is available through specialized chemical suppliers, often listed under categories like "high-purity organic intermediates" and "research-grade chemicals." Quality control measures, such as HPLC analysis and NMR verification, ensure its suitability for rigorous applications. The compound's shelf stability and compatibility with standard laboratory protocols make it a reliable choice for both academic and industrial settings.

In conclusion, 1-(3-Bromo-5-ethylthiophen-2-yl)ethan-1-one (CAS 99768-18-0) stands out as a multifaceted compound with broad applicability across diverse scientific domains. Its integration into cutting-edge research and industrial processes underscores its importance in advancing chemical innovation. As the scientific community continues to explore its potential, this compound is poised to remain a cornerstone in the development of next-generation therapeutics, materials, and agrochemicals.

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