Cas no 1309933-79-6 (1-Bromo-3-fluoro-2-propan-2-yloxybenzene)

1-Bromo-3-fluoro-2-propan-2-yloxybenzene structure
1309933-79-6 structure
Product Name:1-Bromo-3-fluoro-2-propan-2-yloxybenzene
CAS No:1309933-79-6
MF:C9H10BrFO
MW:233.077505588531
MDL:MFCD18917874
CID:4587470
Update Time:2025-07-17

1-Bromo-3-fluoro-2-propan-2-yloxybenzene Chemical and Physical Properties

Names and Identifiers

    • 1-Bromo-3-fluoro-2-(propan-2-yloxy)benzene
    • 1-Bromo-3-fluoro-2-isopropoxy-benzene
    • Benzene, 1-bromo-3-fluoro-2-(1-methylethoxy)-
    • 1-Bromo-3-fluoro-2-propan-2-yloxybenzene
    • MDL: MFCD18917874
    • Inchi: 1S/C9H10BrFO/c1-6(2)12-9-7(10)4-3-5-8(9)11/h3-6H,1-2H3
    • InChI Key: MKEZGGJBJVZFEY-UHFFFAOYSA-N
    • SMILES: C1(Br)=CC=CC(F)=C1OC(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2

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Additional information on 1-Bromo-3-fluoro-2-propan-2-yloxybenzene

1-Bromo-3-Fluoro-2-Propan-2-Yloxybenzene (CAS No. 1309933-79-6): A Versatile Compound in Pharmaceutical and Chemical Research

1-Bromo-3-Fluoro-2-Propan-2-Yloxybenzene, with the CAS No. 1309933-79-6, represents a multifunctional aromatic compound that has garnered significant attention in the fields of medicinal chemistry, materials science, and organic synthesis. This molecule combines the structural features of bromo, fluoro, and propyl substituents, creating a unique scaffold with potential applications in drug discovery, functional material design, and catalytic processes. Recent advancements in synthetic methodologies and biological activity studies have further highlighted the importance of this compound in modern chemical research.

1-Bromo-3-Fluoro-2-Propan-2-Yloxybenzene is characterized by its aromatic benzene ring functionalized with three distinct substituents: a bromine atom at the 1-position, a fluorine atom at the 3-position, and a propyl ether group at the 2-position. The presence of these substituents imparts unique electronic and steric properties to the molecule, making it a valuable intermediate in the synthesis of complex organic compounds. The bromine atom, a common functional group in pharmaceuticals, introduces reactivity for further derivatization, while the fluorine atom enhances the molecule's hydrophobicity and metabolic stability. The propyl ether group, a key structural element in many bioactive molecules, provides additional flexibility in designing drug candidates with tailored pharmacokinetic profiles.

Recent studies have demonstrated the utility of 1-Bromo-3-Fluoro-2-Propan-2-Yloxybenzene in the development of novel therapeutic agents. For instance, a 2023 publication in the journal Organic & Biomolecular Chemistry reported the synthesis of a series of substituted benzene derivatives, including this compound, as potential inhibitors of protein kinases involved in cancer progression. The fluorine atom at the 3-position was found to enhance the compound's binding affinity to the target kinase, while the propyl ether group contributed to improved cell permeability. These findings underscore the importance of CAS No. 1309933-79-6 as a scaffold for designing targeted therapies in oncology.

The synthesis of 1-Bromo-3-Fluoro-2-Propan-2-Yloxybenzene typically involves multistep organic reactions, with the bromination and fluorination processes being critical steps. A recent study published in Chemical Communications (2023) described a novel catalytic approach using a chiral phosphoric acid catalyst to achieve stereoselective functionalization of the benzene ring. This method not only improved the efficiency of the synthesis but also reduced the environmental impact of the process, aligning with the growing emphasis on green chemistry in pharmaceutical research. The use of such advanced synthetic strategies highlights the role of CAS No. 1309933-79-6 in the development of sustainable chemical processes.

In addition to its pharmaceutical applications, 1-Bromo-3-Fluoro-2-Propan-2-Yloxybenzene has shown promise in materials science. A 2023 paper in Advanced Materials Interfaces explored the use of this compound as a building block for the synthesis of functional polymers with tunable optical properties. The bromine and fluorine substituents were found to modulate the electronic structure of the polymer, enabling applications in organic photovoltaics and optoelectronics. These findings demonstrate the versatility of CAS No. 1309933-79-6 beyond traditional pharmaceutical contexts, expanding its relevance in interdisciplinary research.

The physicochemical properties of 1-Bromo-3-Fluoro-2-Propan-2-Yloxybenzene are critical to its application in various fields. The compound exhibits moderate solubility in polar solvents, which is advantageous for its use in solution-phase reactions. Its molecular weight and functional groups also influence its compatibility with different reaction conditions, making it a flexible platform for further modifications. A 2023 study in Journal of Chemical Information and Modeling analyzed the molecular interactions of this compound with various receptors, revealing its potential as a lead compound for drug development. These insights are essential for optimizing the compound's performance in targeted applications.

Despite its promising applications, the synthesis and handling of 1-Bromo-3-Fluoro-2-Propan-2-Yloxybenzene require careful consideration of safety and environmental factors. The bromine and fluorine atoms are potent electrophiles, necessitating controlled reaction conditions to prevent side reactions. Recent advancements in analytical techniques, such as high-resolution mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy, have enabled more precise characterization of the compound, facilitating its use in complex synthetic pathways. These tools are instrumental in ensuring the accuracy and reproducibility of experiments involving CAS No. 1309933-79-6.

In conclusion, 1-Bromo-3-Fluoro-2-Propan-2-Yloxybenzene (CAS No. 1309933-79-6) is a versatile compound with significant potential in pharmaceutical and chemical research. Its unique structural features, combined with recent advances in synthetic methodologies and biological studies, position it as a key player in the development of novel therapeutics and functional materials. As research continues to evolve, the role of this compound is expected to expand further, contributing to innovative solutions in science and technology.

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