Cas no 618441-98-8 (3',5'-Dichloro-2'-fluorophenacyl bromide)

3',5'-Dichloro-2'-fluorophenacyl bromide is a halogenated phenacyl bromide derivative widely used as a versatile alkylating agent in organic synthesis. Its key advantages include high reactivity as an electrophile, enabling efficient alkylation of nucleophiles such as thiols and amines. The dichloro and fluoro substituents enhance its electron-withdrawing properties, improving its stability and selectivity in reactions. This compound is particularly valuable in the preparation of pharmaceutical intermediates and functionalized aromatic compounds. Its crystalline solid form ensures ease of handling and precise measurement in laboratory settings. Suitable for controlled reactions, it offers consistent performance in synthetic applications requiring selective halogenated phenacyl reagents.
3',5'-Dichloro-2'-fluorophenacyl bromide structure
618441-98-8 structure
Product Name:3',5'-Dichloro-2'-fluorophenacyl bromide
CAS No:618441-98-8
MF:C8H4BrCl2FO
MW:285.925163269043
CID:3052984
PubChem ID:3434987
Update Time:2025-11-01

3',5'-Dichloro-2'-fluorophenacyl bromide Chemical and Physical Properties

Names and Identifiers

    • 3',5'-Dichloro-2'-fluorophenacyl bromide
    • AKOS024416369
    • 618441-98-8
    • SY358420
    • 2-bromo-1-(3,5-dichloro-2-fluorophenyl)ethanone
    • MFCD05154992
    • SCHEMBL2099178
    • 646-360-8
    • Inchi: 1S/C8H4BrCl2FO/c9-3-7(13)5-1-4(10)2-6(11)8(5)12/h1-2H,3H2
    • InChI Key: MOMGBDKPHFILQZ-UHFFFAOYSA-N
    • SMILES: BrCC(C1C=C(C=C(C=1F)Cl)Cl)=O

Computed Properties

  • Exact Mass: 283.88066g/mol
  • Monoisotopic Mass: 283.88066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 203
  • 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: 3.8
  • Topological Polar Surface Area: 17.1?2

3',5'-Dichloro-2'-fluorophenacyl bromide Pricemore >>

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Additional information on 3',5'-Dichloro-2'-fluorophenacyl bromide

Professional Introduction to 3',5'-Dichloro-2'-fluorophenacyl bromide (CAS No. 618441-98-8)

3',5'-Dichloro-2'-fluorophenacyl bromide is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal biology. This compound, identified by its Chemical Abstracts Service Number (CAS No.) 618441-98-8, is a halogenated phenacyl derivative with a unique structural configuration that makes it a valuable intermediate in the synthesis of various bioactive molecules. The presence of both chlorine and fluorine substituents in its molecular framework imparts distinct reactivity and electronic properties, which are exploited in the development of novel therapeutic agents.

The< strong>3',5'-Dichloro-2'-fluorophenacyl bromide molecule consists of a phenacyl core substituted with two chlorine atoms at the 3' and 5' positions and a fluorine atom at the 2' position. This specific arrangement enhances its utility as a building block in organic synthesis, particularly in the construction of complex heterocyclic scaffolds. The halogen atoms not only facilitate cross-coupling reactions but also influence the compound's interaction with biological targets, making it a promising candidate for drug discovery.

In recent years, there has been a surge in research focused on developing small-molecule inhibitors targeting various disease pathways. The< strong>3',5'-Dichloro-2'-fluorophenacyl bromide has been explored as a key intermediate in the synthesis of kinase inhibitors, which are critical in treating cancers and inflammatory diseases. For instance, studies have demonstrated its role in generating potent inhibitors of tyrosine kinases, where the electron-withdrawing nature of the chlorine and fluorine substituents enhances binding affinity to the enzyme's active site.

Moreover, the< strong>3',5'-Dichloro-2'-fluorophenacyl bromide has shown promise in the development of antiviral agents. Researchers have leveraged its structural features to design molecules that disrupt viral replication cycles. The halogen atoms contribute to the compound's ability to interact with viral proteases and polymerases, thereby inhibiting viral propagation. Preliminary studies have highlighted its potential in combating RNA viruses, including those responsible for emerging infectious diseases.

The< strong>CAS No. 618441-98-8 associated with this compound ensures its traceability and specificity in chemical databases and literature. This standardized identification is crucial for researchers who rely on precise molecular descriptors for experimental design and data analysis. The compound's properties have been thoroughly characterized through spectroscopic techniques such as nuclear magnetic resonance (NMR) spectroscopy, mass spectrometry (MS), and X-ray crystallography, providing a comprehensive understanding of its structure-function relationships.

The synthesis of< strong>3',5'-Dichloro-2'-fluorophenacyl bromide involves multi-step organic transformations that highlight the ingenuity of modern synthetic methodologies. Key steps include halogenation reactions, cross-coupling processes, and purification techniques that ensure high yield and purity. These synthetic strategies are often tailored to maximize efficiency while minimizing side reactions, underscoring the importance of optimizing reaction conditions for industrial-scale production.

In academic research, the< strong>3',5'-Dichloro-2'-fluorophenacyl bromide has been utilized as a scaffold for structure-activity relationship (SAR) studies. By systematically modifying its substituents, researchers can elucidate how different functional groups influence biological activity. Such studies are instrumental in identifying lead compounds that exhibit desired pharmacological properties while avoiding toxic side effects. The versatility of this intermediate allows for rapid screening of diverse molecular libraries, accelerating the drug discovery process.

The< strong>CAS No. 618441-98-8 serves as a unique identifier for regulatory purposes, ensuring compliance with international chemical safety standards. Manufacturers and distributors rely on this number for proper classification, labeling, and handling guidelines. While< strong>3',5'-Dichloro-2'-fluorophenacyl bromide is not classified as a hazardous material under current regulations, adherence to safety protocols is essential to prevent accidental exposure during handling and transportation.

The future prospects of< strong>3',5'-Dichloro-2'-fluorophenacyl bromide are vast, particularly as new synthetic routes are developed and its applications in drug discovery expand. Advances in computational chemistry and artificial intelligence are enabling more efficient virtual screening methods to identify potential drug candidates derived from this intermediate. Additionally, green chemistry principles are being integrated into synthetic workflows to reduce environmental impact while maintaining high yields.

In conclusion, the< strong>3',5'-Dichloro-2'-fluorophenacyl bromide (CAS No. 618441-98-8) represents a significant advancement in pharmaceutical chemistry due to its versatile reactivity and potential applications in drug development. Its role as an intermediate in synthesizing bioactive molecules underscores its importance in modern medicinal biology. As research continues to uncover new therapeutic applications, this compound is poised to remain at the forefront of innovation in drug discovery.

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