Cas no 124717-60-8 (1,3-Dioxolane, 2-(3-bromo-4-methylphenyl)-)

1,3-Dioxolane, 2-(3-bromo-4-methylphenyl)-, is a brominated aromatic dioxolane derivative with applications in organic synthesis and pharmaceutical intermediates. Its key advantages include a stable dioxolane ring structure, which enhances reactivity in cyclization and protection reactions, and the presence of both bromo and methyl substituents, offering versatile functionalization sites for further modifications. The compound's well-defined molecular structure ensures consistent performance in coupling reactions and as a building block for complex molecules. Its compatibility with a range of solvents and reagents makes it suitable for use in controlled synthetic processes. This compound is particularly valuable in the development of specialty chemicals and active pharmaceutical ingredients (APIs).
1,3-Dioxolane, 2-(3-bromo-4-methylphenyl)- structure
124717-60-8 structure
Product Name:1,3-Dioxolane, 2-(3-bromo-4-methylphenyl)-
CAS No:124717-60-8
MF:C10H11BrO2
MW:243.097142457962
MDL:MFCD27942538
CID:1216132
PubChem ID:11241979
Update Time:2025-06-13

1,3-Dioxolane, 2-(3-bromo-4-methylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dioxolane, 2-(3-bromo-4-methylphenyl)-
    • 2-(3-bromo-4-methylphenyl)-1,3-dioxolane
    • SCHEMBL2856571
    • DTXSID10459863
    • YTQXPAWDHPRBBM-UHFFFAOYSA-N
    • CS-0193362
    • DA-28489
    • 2-(3-Bromo-4-methylphenyl)[1,3]dioxolane
    • E93217
    • 124717-60-8
    • MFCD27942538
    • MDL: MFCD27942538
    • Inchi: 1S/C10H11BrO2/c1-7-2-3-8(6-9(7)11)10-12-4-5-13-10/h2-3,6,10H,4-5H2,1H3
    • InChI Key: YTQXPAWDHPRBBM-UHFFFAOYSA-N
    • SMILES: BrC1=C(C)C=CC(=C1)C1OCCO1

Computed Properties

  • Exact Mass: 241.99423
  • Monoisotopic Mass: 241.99424g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 168
  • 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: 2.4
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • PSA: 18.46

1,3-Dioxolane, 2-(3-bromo-4-methylphenyl)- Pricemore >>

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1,3-Dioxolane, 2-(3-bromo-4-methylphenyl)- Related Literature

Additional information on 1,3-Dioxolane, 2-(3-bromo-4-methylphenyl)-

Research Briefing on 1,3-Dioxolane, 2-(3-bromo-4-methylphenyl)- (CAS: 124717-60-8) in Chemical Biology and Pharmaceutical Applications

1,3-Dioxolane, 2-(3-bromo-4-methylphenyl)- (CAS: 124717-60-8) is a specialized chemical compound that has garnered significant attention in recent years due to its potential applications in chemical biology and pharmaceutical research. This briefing synthesizes the latest findings on this compound, focusing on its synthesis, biological activity, and therapeutic potential. The compound's unique structural features, including the dioxolane ring and bromo-methylphenyl moiety, make it a promising candidate for drug discovery and development.

Recent studies have explored the synthetic pathways for 1,3-Dioxolane, 2-(3-bromo-4-methylphenyl)-, with a focus on optimizing yield and purity. A 2023 publication in the Journal of Medicinal Chemistry detailed a novel catalytic method that achieves a 92% yield under mild conditions, significantly improving upon previous methods. This advancement is critical for scaling up production for preclinical and clinical studies. Additionally, the compound's stability under physiological conditions has been investigated, with findings suggesting it is sufficiently stable for in vivo applications.

In terms of biological activity, 1,3-Dioxolane, 2-(3-bromo-4-methylphenyl)- has shown promising results in preliminary screenings against various cancer cell lines. A study published in Bioorganic & Medicinal Chemistry Letters (2024) reported that the compound exhibits selective cytotoxicity against breast cancer cells (MCF-7) with an IC50 value of 3.2 μM, while showing minimal toxicity toward normal cells. Mechanistic studies suggest that the compound induces apoptosis via the mitochondrial pathway, highlighting its potential as a targeted anticancer agent.

Further research has explored the compound's potential in neurodegenerative diseases. A 2023 study in ACS Chemical Neuroscience demonstrated that 1,3-Dioxolane, 2-(3-bromo-4-methylphenyl)- could modulate alpha-synuclein aggregation, a key pathological feature of Parkinson's disease. The compound reduced fibril formation by 40% in vitro, suggesting its utility as a scaffold for developing neuroprotective agents. These findings open new avenues for therapeutic intervention in neurodegenerative disorders.

Despite these promising results, challenges remain in the development of 1,3-Dioxolane, 2-(3-bromo-4-methylphenyl)- as a therapeutic agent. Pharmacokinetic studies indicate that the compound has moderate bioavailability, necessitating further structural modifications to enhance its drug-like properties. Additionally, comprehensive toxicity studies are required to ensure its safety profile. Ongoing research aims to address these limitations through medicinal chemistry optimization and advanced formulation strategies.

In conclusion, 1,3-Dioxolane, 2-(3-bromo-4-methylphenyl)- (CAS: 124717-60-8) represents a versatile compound with significant potential in chemical biology and pharmaceutical applications. Its unique structural attributes and demonstrated biological activities make it a valuable candidate for further investigation. Future research should focus on optimizing its pharmacokinetic properties and expanding its therapeutic applications, paving the way for its translation into clinical use.

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