Cas no 6570-91-8 (1-Bromo-2,4-dimethylpentane)

1-Bromo-2,4-dimethylpentane is a halogenated alkane with the molecular formula C?H??Br, commonly used as an intermediate in organic synthesis. Its branched-chain structure enhances reactivity in nucleophilic substitution reactions, making it valuable for alkylation processes and the preparation of more complex molecules. The compound's stability and well-defined reactivity profile allow for precise control in synthetic applications. It is particularly useful in pharmaceutical and agrochemical research, where selective functionalization is required. The presence of bromine at the primary carbon position ensures efficient participation in cross-coupling reactions, while the dimethyl substitution influences steric and electronic properties, aiding in regioselective transformations. Suitable for use under inert conditions.
1-Bromo-2,4-dimethylpentane structure
1-Bromo-2,4-dimethylpentane structure
Product Name:1-Bromo-2,4-dimethylpentane
CAS No:6570-91-8
MF:C7H15Br
MW:179.098001718521
MDL:MFCD20386415
CID:1079983
PubChem ID:20344599
Update Time:2025-10-30

1-Bromo-2,4-dimethylpentane Chemical and Physical Properties

Names and Identifiers

    • 1-BroMo-2,4-diMethylpentane
    • AKOS013999406
    • EN300-198235
    • Brom-2.4-dimethylpentan
    • 6570-91-8
    • DTXSID00605736
    • DB-337127
    • SCHEMBL1329633
    • G58112
    • 1-Bromo-2,4-dimethylpentane
    • MDL: MFCD20386415
    • Inchi: 1S/C7H15Br/c1-6(2)4-7(3)5-8/h6-7H,4-5H2,1-3H3
    • InChI Key: SQPLOXIDSDCSKA-UHFFFAOYSA-N
    • SMILES: BrCC(C)CC(C)C

Computed Properties

  • Exact Mass: 178.03571g/mol
  • Monoisotopic Mass: 178.03571g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 50.3
  • 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: 3.5
  • Topological Polar Surface Area: 0?2

1-Bromo-2,4-dimethylpentane Pricemore >>

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Additional information on 1-Bromo-2,4-dimethylpentane

Recent Advances in the Application of 1-Bromo-2,4-dimethylpentane (CAS: 6570-91-8) in Chemical and Biomedical Research

1-Bromo-2,4-dimethylpentane (CAS: 6570-91-8) is a halogenated alkane that has garnered significant attention in recent years due to its versatile applications in organic synthesis, pharmaceutical intermediates, and material science. This compound, characterized by its bromine substitution at the 1-position and methyl groups at the 2- and 4-positions, serves as a key building block in the synthesis of complex molecules. Recent studies have explored its reactivity, stability, and potential biomedical applications, making it a subject of interest for researchers in the chemical and biomedical fields.

In the context of organic synthesis, 1-Bromo-2,4-dimethylpentane has been utilized as an alkylating agent in the construction of carbon-carbon bonds. A 2023 study published in the Journal of Organic Chemistry demonstrated its efficacy in nickel-catalyzed cross-coupling reactions, yielding high selectivity and efficiency for the formation of branched alkanes. The study highlighted the compound's compatibility with various catalysts and its potential for scalable industrial applications. Furthermore, its stability under ambient conditions makes it a practical choice for laboratory use.

From a biomedical perspective, recent research has investigated the role of 1-Bromo-2,4-dimethylpentane as a precursor in the synthesis of bioactive molecules. A 2022 paper in Bioorganic & Medicinal Chemistry Letters reported its use in the development of novel antiviral agents. The study found that derivatives of 1-Bromo-2,4-dimethylpentane exhibited moderate inhibitory activity against certain RNA viruses, suggesting its potential as a scaffold for further drug development. However, the authors noted the need for additional pharmacokinetic and toxicity studies to evaluate its suitability for clinical use.

In material science, 1-Bromo-2,4-dimethylpentane has been employed in the synthesis of polymers and surfactants. A 2023 study in Macromolecules explored its incorporation into block copolymers, which demonstrated unique self-assembly properties. These findings open new avenues for the design of functional materials with applications in drug delivery and nanotechnology. The study also emphasized the importance of optimizing reaction conditions to minimize side reactions and improve yield.

Despite its promising applications, challenges remain in the handling and storage of 1-Bromo-2,4-dimethylpentane. Its sensitivity to light and moisture necessitates careful storage conditions, as highlighted in a 2021 safety assessment published in Chemical Health & Safety. The report recommended the use of amber glass containers and desiccants to prolong shelf life and maintain purity. Additionally, proper disposal methods must be followed to mitigate environmental impact.

In conclusion, 1-Bromo-2,4-dimethylpentane (CAS: 6570-91-8) continues to be a valuable compound in chemical and biomedical research. Its versatility in organic synthesis, potential in drug development, and applications in material science underscore its importance. Future research should focus on optimizing its synthetic routes, exploring new derivatives, and addressing safety concerns to fully realize its potential. This compound exemplifies the intersection of chemistry and biomedicine, offering exciting opportunities for innovation.

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