Cas no 1934570-63-4 (3-(3-Bromo-2,2-dimethylpropyl)oxolane)

3-(3-Bromo-2,2-dimethylpropyl)oxolane is a brominated oxolane derivative characterized by its reactive bromomethyl group and sterically hindered structure. This compound is primarily utilized as an intermediate in organic synthesis, particularly in the preparation of more complex molecules through nucleophilic substitution or coupling reactions. The presence of the oxolane (tetrahydrofuran) ring enhances solubility in polar organic solvents, facilitating its use in various reaction conditions. Its stable, branched alkyl chain minimizes unwanted side reactions, making it a reliable building block for pharmaceuticals, agrochemicals, and specialty materials. The bromine substituent offers a versatile handle for further functionalization, enabling precise molecular modifications.
3-(3-Bromo-2,2-dimethylpropyl)oxolane structure
1934570-63-4 structure
Product Name:3-(3-Bromo-2,2-dimethylpropyl)oxolane
CAS No:1934570-63-4
MF:C9H17BrO
MW:221.134682416916
CID:5056726
Update Time:2025-10-21

3-(3-Bromo-2,2-dimethylpropyl)oxolane Chemical and Physical Properties

Names and Identifiers

    • 3-(3-bromo-2,2-dimethylpropyl)oxolane
    • 3-(3-Bromo-2,2-dimethylpropyl)oxolane
    • Inchi: 1S/C9H17BrO/c1-9(2,7-10)5-8-3-4-11-6-8/h8H,3-7H2,1-2H3
    • InChI Key: ZEKJIBYAXYSXDD-UHFFFAOYSA-N
    • SMILES: BrCC(C)(C)CC1COCC1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 123
  • XLogP3: 2.8
  • Topological Polar Surface Area: 9.2

3-(3-Bromo-2,2-dimethylpropyl)oxolane Pricemore >>

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Additional information on 3-(3-Bromo-2,2-dimethylpropyl)oxolane

Research Briefing on 3-(3-Bromo-2,2-dimethylpropyl)oxolane (CAS: 1934570-63-4) in Chemical Biology and Pharmaceutical Applications

The compound 3-(3-Bromo-2,2-dimethylpropyl)oxolane (CAS: 1934570-63-4) has recently emerged as a molecule of significant interest in chemical biology and pharmaceutical research due to its unique structural features and potential therapeutic applications. This research briefing synthesizes the latest findings regarding this compound, focusing on its synthetic pathways, biological activities, and potential as a building block for drug development.

Recent studies have demonstrated that 1934570-63-4 serves as a versatile intermediate in the synthesis of complex bioactive molecules. Its bromine-substituted dimethylpropyl group attached to an oxolane (tetrahydrofuran) ring provides multiple sites for chemical modification, making it particularly valuable for structure-activity relationship (SAR) studies. A 2023 publication in the Journal of Medicinal Chemistry highlighted its use in developing novel kinase inhibitors, where the compound's rigid oxolane ring contributed to improved binding affinity and selectivity.

In pharmacological investigations, 3-(3-Bromo-2,2-dimethylpropyl)oxolane has shown promising activity against several disease targets. Research published in Bioorganic & Medicinal Chemistry Letters (2024) reported its incorporation into proteolysis targeting chimera (PROTAC) molecules, where it facilitated the degradation of oncogenic proteins. The compound's lipophilic nature and appropriate molecular weight (MW: 221.13 g/mol) make it particularly suitable for optimizing drug-like properties in lead optimization phases.

The synthetic accessibility of 1934570-63-4 has been another focus of recent research. A 2024 study in Organic Process Research & Development detailed an improved synthetic route with 78% overall yield and excellent purity (>99%), addressing previous challenges in large-scale production. This advancement is particularly significant for pharmaceutical applications where consistent quality and scalability are crucial.

From a safety perspective, preliminary toxicological studies indicate that 3-(3-Bromo-2,2-dimethylpropyl)oxolane exhibits favorable ADME (absorption, distribution, metabolism, and excretion) profiles in animal models. However, researchers caution that the bromine substituent may require careful consideration in final drug candidates due to potential metabolic liabilities. Current investigations are exploring deuterated analogs to potentially improve metabolic stability while retaining the compound's beneficial properties.

Looking forward, the unique structural features of 1934570-63-4 continue to inspire novel applications in drug discovery. Several pharmaceutical companies have included derivatives of this compound in their pipelines, particularly for oncology and inflammatory diseases. The compound's versatility as both a synthetic intermediate and a potential pharmacophore ensures its ongoing relevance in chemical biology and medicinal chemistry research.

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