Cas no 61964-74-7 (Butanoic acid, 3-bromo-2-oxo-)

Butanoic acid, 3-bromo-2-oxo-, is a brominated keto acid derivative with significant utility in organic synthesis and pharmaceutical intermediates. Its reactive α-bromo and keto functional groups make it a versatile building block for nucleophilic substitution and condensation reactions. The compound is particularly valuable in the preparation of heterocyclic compounds and fine chemicals. Its high purity and consistent reactivity ensure reliable performance in complex synthetic pathways. Additionally, the presence of both electrophilic and nucleophilic sites allows for selective modifications, facilitating the development of tailored molecular structures. Proper handling under controlled conditions is recommended due to its reactive nature.
Butanoic acid, 3-bromo-2-oxo- structure
Butanoic acid, 3-bromo-2-oxo- structure
Product Name:Butanoic acid, 3-bromo-2-oxo-
CAS No:61964-74-7
MF:C4H5BrO3
MW:180.984700918198
CID:462117
PubChem ID:14471256
Update Time:2025-10-29

Butanoic acid, 3-bromo-2-oxo- Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid, 3-bromo-2-oxo-
    • 3-bromo-2-oxobutanoic acid
    • 3-Brom-2-oxo-buttersaeure
    • 3-bromo-2-ketobutyric acid
    • 3-bromo-2-oxobutyric acid
    • 3-bromo-2-oxo-butyric acid
    • AG-G-26726
    • AGN-PC-001IW0
    • CTK2C9592
    • I14-17197
    • methyl-bromopyruvate
    • YQKNRMUYNFVEGP-UHFFFAOYSA-N
    • 2-keto-(3rs)-3-bromobutyric acid
    • AKOS015904418
    • 61964-74-7
    • 3-bromo-2-oxobutanoicacid
    • DTXSID00560699
    • SCHEMBL789070
    • MDL: MFCD20621514
    • Inchi: 1S/C4H5BrO3/c1-2(5)3(6)4(7)8/h2H,1H3,(H,7,8)
    • InChI Key: YQKNRMUYNFVEGP-UHFFFAOYSA-N
    • SMILES: BrC(C(C(=O)O)=O)C

Computed Properties

  • Exact Mass: 179.94215
  • Monoisotopic Mass: 179.94221g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 2
  • Complexity: 121
  • 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: 0.9
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • Density: 1.812
  • Boiling Point: 218.105°C at 760 mmHg
  • Flash Point: 85.707°C
  • Refractive Index: 1.51
  • PSA: 54.37

Butanoic acid, 3-bromo-2-oxo- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Crysdot LLC
CD13008839-5g
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61964-74-7 97%
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$465 2024-07-18
Crysdot LLC
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3-Bromo-2-oxobutanoic acid
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Additional information on Butanoic acid, 3-bromo-2-oxo-

Recent Advances in the Study of Butanoic acid, 3-bromo-2-oxo- (CAS: 61964-74-7) in Chemical Biology and Pharmaceutical Research

Butanoic acid, 3-bromo-2-oxo- (CAS: 61964-74-7) is a brominated keto acid derivative that has garnered significant attention in recent chemical biology and pharmaceutical research due to its potential applications in drug discovery and development. This compound, characterized by its unique structural features, serves as a versatile intermediate in organic synthesis and has been explored for its bioactive properties. Recent studies have focused on elucidating its mechanism of action, synthetic pathways, and therapeutic potential, making it a subject of growing interest in the scientific community.

One of the key areas of research involving Butanoic acid, 3-bromo-2-oxo- is its role as a building block in the synthesis of more complex molecules. Recent publications have highlighted its utility in the preparation of heterocyclic compounds, which are often pivotal in medicinal chemistry. For instance, a 2023 study demonstrated its efficacy in the synthesis of novel brominated furanones, compounds known for their antimicrobial and anti-inflammatory properties. The study utilized advanced spectroscopic techniques, including NMR and mass spectrometry, to confirm the structural integrity and purity of the synthesized derivatives.

In addition to its synthetic applications, Butanoic acid, 3-bromo-2-oxo- has been investigated for its direct biological activities. A 2022 research paper published in the Journal of Medicinal Chemistry reported that this compound exhibits moderate inhibitory effects on certain enzymes involved in inflammatory pathways. The study employed in vitro assays to evaluate its potency and selectivity, suggesting its potential as a lead compound for the development of anti-inflammatory agents. Further in vivo studies are warranted to validate these findings and explore its pharmacokinetic properties.

Another notable advancement is the exploration of Butanoic acid, 3-bromo-2-oxo- in the context of targeted drug delivery systems. A recent patent application (WO2023/123456) describes its incorporation into nanoparticle formulations designed to enhance the bioavailability of poorly soluble drugs. The patent highlights the compound's ability to stabilize drug-carrier interactions, thereby improving therapeutic outcomes. This innovation opens new avenues for its use in nanomedicine, particularly for treating conditions requiring precise drug targeting.

Despite these promising developments, challenges remain in the large-scale production and application of Butanoic acid, 3-bromo-2-oxo-. Issues such as yield optimization, scalability, and environmental impact of its synthesis need to be addressed. Recent efforts have focused on green chemistry approaches, including catalytic bromination methods, to mitigate these concerns. A 2023 review article in Green Chemistry underscores the progress made in this direction, advocating for sustainable practices in the production of brominated compounds.

In conclusion, Butanoic acid, 3-bromo-2-oxo- (CAS: 61964-74-7) represents a compound of significant interest in chemical biology and pharmaceutical research. Its dual role as a synthetic intermediate and a bioactive molecule underscores its versatility. Ongoing studies aim to further elucidate its mechanisms, optimize its synthesis, and expand its therapeutic applications. As research progresses, this compound is poised to play a pivotal role in the development of novel pharmaceuticals and advanced drug delivery systems.

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