Cas no 1214388-74-5 (1,3-Dibromo-5-(difluoromethyl)benzene stabilized over potassium carbonate)

1,3-Dibromo-5-(difluoromethyl)benzene stabilized over potassium carbonate is a high-purity aromatic compound designed for synthetic applications in pharmaceutical and agrochemical research. The dibromo substitution pattern and difluoromethyl group make it a versatile intermediate for cross-coupling reactions, such as Suzuki or Buchwald-Hartwig couplings. Stabilization with potassium carbonate ensures enhanced shelf life by minimizing decomposition or unwanted side reactions. The product is particularly valuable for introducing fluorine-containing motifs into target molecules, leveraging the electronic and steric effects of the difluoromethyl group. Suitable for controlled functionalization, it offers consistent reactivity and compatibility with organometallic reagents. Packaged under inert conditions to maintain stability.
1,3-Dibromo-5-(difluoromethyl)benzene stabilized over potassium carbonate structure
1214388-74-5 structure
Product Name:1,3-Dibromo-5-(difluoromethyl)benzene stabilized over potassium carbonate
CAS No:1214388-74-5
MF:C7H4Br2F2
MW:285.911467552185
MDL:MFCD14698564
CID:4578267
PubChem ID:46311698
Update Time:2025-06-08

1,3-Dibromo-5-(difluoromethyl)benzene stabilized over potassium carbonate Chemical and Physical Properties

Names and Identifiers

    • 1,3-dibromo-5-(difluoromethyl)benzene
    • Benzene, 1,3-dibromo-5-(difluoromethyl)-
    • EN300-382823
    • CS-0442540
    • 1214388-74-5
    • 1,3-Dibromo-5-(difluoromethyl)benzene stabilized over potassium carbonate
    • FS-5948
    • SY265799
    • F85894
    • AKOS027267097
    • MFCD14698564
    • MDL: MFCD14698564
    • Inchi: 1S/C7H4Br2F2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,7H
    • InChI Key: YBFLXHGNEOJUFQ-UHFFFAOYSA-N
    • SMILES: C1(Br)=CC(C(F)F)=CC(Br)=C1

Computed Properties

  • Exact Mass: 285.86273g/mol
  • Monoisotopic Mass: 283.86478g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 120
  • 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: 3.9
  • Topological Polar Surface Area: 0?2

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1,3-Dibromo-5-(difluoromethyl)benzene stabilized over potassium carbonate Related Literature

Additional information on 1,3-Dibromo-5-(difluoromethyl)benzene stabilized over potassium carbonate

Introduction to 1,3-Dibromo-5-(difluoromethyl)benzene stabilized over potassium carbonate (CAS No. 1214388-74-5)

1,3-Dibromo-5-(difluoromethyl)benzene stabilized over potassium carbonate, identified by the CAS number 1214388-74-5, is a specialized chemical compound that has garnered significant attention in the field of pharmaceutical and agrochemical research. This compound serves as a crucial intermediate in the synthesis of various biologically active molecules, particularly those targeting complex biological pathways. The stabilization over potassium carbonate enhances its reactivity and shelf-life, making it a valuable asset in modern synthetic chemistry.

The structure of 1,3-dibromo-5-(difluoromethyl)benzene features a bromine substituent at the 1 and 3 positions of the benzene ring, coupled with a difluoromethyl group at the 5 position. This arrangement imparts unique electronic and steric properties to the molecule, which are highly desirable in medicinal chemistry. The presence of multiple halogen atoms increases its potential as a building block for further functionalization, enabling the creation of diverse pharmacophores.

In recent years, there has been a surge in research focused on developing novel compounds with enhanced efficacy and reduced side effects. 1,3-Dibromo-5-(difluoromethyl)benzene has emerged as a key intermediate in this pursuit. Its applications span across various therapeutic areas, including oncology, infectious diseases, and central nervous system disorders. The difluoromethyl group, in particular, is known to improve metabolic stability and binding affinity to biological targets, making it a preferred choice for drug designers.

One of the most compelling aspects of 1,3-dibromo-5-(difluoromethyl)benzene stabilized over potassium carbonate is its role in the development of small-molecule inhibitors. These inhibitors are designed to interact with specific enzymes or receptors involved in disease pathways. For instance, studies have shown that derivatives of this compound exhibit potent activity against certain kinases, which are often overexpressed in cancer cells. The bromine atoms provide handles for further chemical modification, allowing researchers to fine-tune the properties of these inhibitors for optimal biological activity.

The stabilization over potassium carbonate is another critical feature that enhances the utility of this compound. Potassium carbonate acts as a mild base and desiccant, preventing degradation due to moisture or acidic impurities. This stabilization ensures that the compound remains pure and reactive throughout its shelf life, reducing the need for additional purification steps during synthesis. Such efficiency is particularly valuable in industrial-scale production where cost-effectiveness and reproducibility are paramount.

Recent advancements in computational chemistry have further accelerated the development of novel derivatives of 1,3-dibromo-5-(difluoromethyl)benzene. Machine learning models can predict the biological activity of different structural modifications with remarkable accuracy, enabling researchers to prioritize promising candidates for experimental validation. This synergy between computational methods and traditional synthetic chemistry has led to faster discovery pipelines and more informed decision-making.

In clinical trials, compounds derived from 1,3-dibromo-5-(difluoromethyl)benzene have shown encouraging results in preclinical models. For example, researchers have synthesized analogs that exhibit selective inhibition of specific enzyme targets while minimizing off-target effects. Such selectivity is crucial for improving therapeutic outcomes and reducing adverse reactions. The versatility of this intermediate allows for the exploration of diverse chemical space, increasing the likelihood of identifying compounds with optimal pharmacokinetic profiles.

The agrochemical sector has also benefited from the use of 1,3-dibromo-5-(difluoromethyl)benzene as a building block. Derivatives of this compound have been investigated for their potential as pesticides and herbicides. The halogenated aromatic core provides stability under environmental conditions while allowing for modifications that enhance target specificity. This balance between reactivity and stability makes it an attractive candidate for developing next-generation agrochemicals that are both effective and environmentally friendly.

The synthesis of 1,3-dibromo-5-(difluoromethyl)benzene stabilized over potassium carbonate involves multi-step organic reactions that require precise control over reaction conditions. Advanced catalytic systems have been developed to streamline these processes while maintaining high yields. For instance, transition metal-catalyzed cross-coupling reactions have enabled efficient introduction of bromine and difluoromethyl groups onto aromatic scaffolds. These innovations have not only improved synthetic efficiency but also opened new avenues for structural diversification.

Future research directions for 1,3-dibromo-5-(difluoromethyl)benzene include exploring its applications in materials science and nanotechnology. The unique electronic properties of halogenated aromatics make them suitable candidates for organic semiconductors and luminescent materials. By integrating this compound into advanced materials platforms, scientists may uncover novel functionalities with broad technological implications.

In conclusion,1,3-dibromo-5-(difluoromethyl)benzene stabilized over potassium carbonate (CAS No. 1214388-74-5) is a versatile intermediate with far-reaching applications in pharmaceuticals、agrochemicals,and materials science。 Its structural features,combined with innovative synthetic methodologies,make it a cornerstone in modern chemical research。 As our understanding of biological systems continues to evolve,compounds like this will play an increasingly critical role in shaping the future of medicine and technology。

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