Cas no 65438-97-3 (2-bromo-1-(1-methyl-1H-pyrrol-2-yl)-Ethanone)

2-Bromo-1-(1-methyl-1H-pyrrol-2-yl)-ethanone is a brominated ketone derivative featuring a 1-methylpyrrole substituent. This compound is of interest in organic synthesis, particularly as a versatile intermediate for constructing heterocyclic frameworks due to its reactive α-bromo ketone moiety. The presence of the electron-rich pyrrole ring enhances its utility in nucleophilic substitution and cross-coupling reactions. Its structural features make it suitable for applications in pharmaceutical and agrochemical research, where it can serve as a precursor for bioactive molecules. The compound is typically handled under controlled conditions due to its potential reactivity. Proper storage and handling are recommended to maintain stability.
2-bromo-1-(1-methyl-1H-pyrrol-2-yl)-Ethanone structure
65438-97-3 structure
Product Name:2-bromo-1-(1-methyl-1H-pyrrol-2-yl)-Ethanone
CAS No:65438-97-3
MF:C7H8BrNO
MW:202.04852104187
CID:501581
PubChem ID:12407741
Update Time:2025-05-24

2-bromo-1-(1-methyl-1H-pyrrol-2-yl)-Ethanone Chemical and Physical Properties

Names and Identifiers

    • 2-bromo-1-(1-methyl-1H-pyrrol-2-yl)-Ethanone
    • 2-bromo-1-(1-methyl-1H-pyrrol-2-yl)Ethanone
    • 2-bromo-1-(1-methylpyrrol-2-yl)ethanone
    • Ethanone, 2-bromo-1-(1-methyl-1H-pyrrol-2-yl)- (9CI)
    • Ethanone,2-bromo-1-(1-methyl-1H-pyrrol-2-yl)-
    • 2-(Bromoacetyl)-1-methylpyrrole
    • N-Methyl-2-(bromoacetyl)pyrrole
    • AKOS009316720
    • SB63884
    • D82711
    • MFCD12797405
    • SCHEMBL6834190
    • DTXSID00496848
    • BS-17361
    • 2-Bromo-1-(1-methyl-2-pyrrolyl)ethanone
    • N-methyl-a-bromoacetylpyrrole
    • SY354702
    • DZWFDZMYEJQIIQ-UHFFFAOYSA-N
    • 65438-97-3
    • 2-Bromo-1-(1-methyl-1H-pyrrol-2-yl)ethan-1-one
    • FT-0738223
    • DA-03882
    • MDL: MFCD12797405
    • Inchi: 1S/C7H8BrNO/c1-9-4-2-3-6(9)7(10)5-8/h2-4H,5H2,1H3
    • InChI Key: DZWFDZMYEJQIIQ-UHFFFAOYSA-N
    • SMILES: BrCC(C1=CC=CN1C)=O

Computed Properties

  • Exact Mass: 200.97894
  • Monoisotopic Mass: 200.97893g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 138
  • 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: 22?2

Experimental Properties

  • PSA: 22

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Additional information on 2-bromo-1-(1-methyl-1H-pyrrol-2-yl)-Ethanone

Recent Advances in the Study of 2-Bromo-1-(1-methyl-1H-pyrrol-2-yl)-Ethanone (CAS: 65438-97-3)

The compound 2-bromo-1-(1-methyl-1H-pyrrol-2-yl)-ethanone (CAS: 65438-97-3) has recently garnered significant attention in the field of chemical biology and medicinal chemistry due to its versatile applications in drug discovery and development. This research briefing aims to provide an overview of the latest findings related to this compound, focusing on its synthesis, biological activity, and potential therapeutic applications.

Recent studies have highlighted the role of 2-bromo-1-(1-methyl-1H-pyrrol-2-yl)-ethanone as a key intermediate in the synthesis of heterocyclic compounds, which are widely used in the development of pharmaceuticals. Its unique structural features, including the bromo and pyrrole moieties, make it a valuable building block for the construction of more complex molecules with potential biological activity. Researchers have successfully employed this compound in the synthesis of novel kinase inhibitors and antimicrobial agents, demonstrating its broad utility in medicinal chemistry.

In a groundbreaking study published in the Journal of Medicinal Chemistry, scientists investigated the anti-cancer properties of derivatives synthesized from 2-bromo-1-(1-methyl-1H-pyrrol-2-yl)-ethanone. The results indicated that certain derivatives exhibited potent inhibitory effects against specific cancer cell lines, with IC50 values in the nanomolar range. These findings suggest that this compound could serve as a promising scaffold for the development of new anti-cancer therapeutics.

Another area of active research involves the use of 2-bromo-1-(1-methyl-1H-pyrrol-2-yl)-ethanone in the development of antimicrobial agents. A recent study published in Bioorganic & Medicinal Chemistry Letters reported that derivatives of this compound displayed significant activity against drug-resistant bacterial strains, including methicillin-resistant Staphylococcus aureus (MRSA). The researchers attributed this activity to the compound's ability to disrupt bacterial cell wall synthesis, highlighting its potential as a lead compound for novel antibiotic development.

From a synthetic chemistry perspective, advancements have been made in optimizing the production of 2-bromo-1-(1-methyl-1H-pyrrol-2-yl)-ethanone. A team of researchers recently developed a more efficient and environmentally friendly synthesis route, reducing the use of hazardous reagents and improving overall yield. This progress is particularly important for scaling up production for potential pharmaceutical applications.

Looking forward, the unique properties of 2-bromo-1-(1-methyl-1H-pyrrol-2-yl)-ethanone position it as a compound of significant interest in drug discovery. Current research efforts are focused on exploring its potential in targeting various disease pathways, including inflammation and neurodegenerative disorders. As more studies emerge, this compound may prove to be a versatile tool in the development of next-generation therapeutics.

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