Cas no 1806347-55-6 (1,2-Dibromo-4-difluoromethoxy-5-(fluoromethoxy)benzene)

1,2-Dibromo-4-difluoromethoxy-5-(fluoromethoxy)benzene is a halogenated aromatic compound featuring both dibromo and fluoromethoxy substituents, which contribute to its unique reactivity and stability. The presence of difluoromethoxy and fluoromethoxy groups enhances its electron-withdrawing properties, making it a valuable intermediate in organic synthesis, particularly for pharmaceuticals and agrochemicals. Its structural rigidity and halogen-rich composition facilitate selective functionalization in cross-coupling reactions. The compound’s high purity and well-defined molecular structure ensure consistent performance in specialized applications, such as the development of fluorinated bioactive molecules. Its stability under various reaction conditions further underscores its utility in advanced chemical synthesis.
1,2-Dibromo-4-difluoromethoxy-5-(fluoromethoxy)benzene structure
1806347-55-6 structure
Product Name:1,2-Dibromo-4-difluoromethoxy-5-(fluoromethoxy)benzene
CAS No:1806347-55-6
MF:C8H5Br2F3O2
MW:349.927311658859
CID:4970622
Update Time:2025-11-03

1,2-Dibromo-4-difluoromethoxy-5-(fluoromethoxy)benzene Chemical and Physical Properties

Names and Identifiers

    • 1,2-Dibromo-4-difluoromethoxy-5-(fluoromethoxy)benzene
    • Inchi: 1S/C8H5Br2F3O2/c9-4-1-6(14-3-11)7(2-5(4)10)15-8(12)13/h1-2,8H,3H2
    • InChI Key: NUNZROJJFLXNEI-UHFFFAOYSA-N
    • SMILES: BrC1C(=CC(=C(C=1)OC(F)F)OCF)Br

Computed Properties

  • Exact Mass: 349.85879 g/mol
  • Monoisotopic Mass: 347.86084 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 197
  • 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: 4.6
  • Topological Polar Surface Area: 18.5
  • Molecular Weight: 349.93

1,2-Dibromo-4-difluoromethoxy-5-(fluoromethoxy)benzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A013025521-250mg
1,2-Dibromo-4-difluoromethoxy-5-(fluoromethoxy)benzene
1806347-55-6 97%
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499.20 USD 2021-06-24
Alichem
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1,2-Dibromo-4-difluoromethoxy-5-(fluoromethoxy)benzene
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1,2-Dibromo-4-difluoromethoxy-5-(fluoromethoxy)benzene Related Literature

Additional information on 1,2-Dibromo-4-difluoromethoxy-5-(fluoromethoxy)benzene

Introduction to 1,2-Dibromo-4-difluoromethoxy-5-(fluoromethoxy)benzene (CAS No. 1806347-55-6) and Its Emerging Applications in Chemical Biology

1,2-Dibromo-4-difluoromethoxy-5-(fluoromethoxy)benzene, identified by the chemical identifier CAS No. 1806347-55-6, is a highly functionalized aromatic compound that has garnered significant attention in the field of chemical biology due to its unique structural properties and potential applications in drug discovery and material science. This compound belongs to the class of brominated and fluorinated methoxybenzenes, which are known for their versatility in medicinal chemistry and synthetic organic chemistry.

The molecular structure of 1,2-dibromo-4-difluoromethoxy-5-(fluoromethoxy)benzene features two bromine atoms at the 1 and 2 positions of the benzene ring, along with two methoxy groups at the 4 and 5 positions, both of which are further substituted with fluorine atoms. This highly halogenated aromatic system imparts distinct electronic and steric properties, making it a valuable intermediate in the synthesis of more complex molecules. The presence of multiple fluorine atoms enhances the lipophilicity and metabolic stability of derivatives, which is a critical factor in pharmaceutical development.

In recent years, there has been a surge in research focused on halogenated aromatic compounds due to their role as key building blocks in the synthesis of biologically active agents. Specifically, 1,2-dibromo-4-difluoromethoxy-5-(fluoromethoxy)benzene has been explored in several cutting-edge studies for its potential as a precursor in the development of novel therapeutic agents. For instance, researchers have utilized this compound to synthesize derivatives that exhibit inhibitory activity against various enzymes and receptors implicated in inflammatory diseases and cancer.

One notable area of investigation involves the use of 1,2-dibromo-4-difluoromethoxy-5-(fluoromethoxy)benzene in the design of small-molecule inhibitors targeting protein-protein interactions (PPIs). PPIs are critical mediators of cellular signaling pathways and have been identified as promising therapeutic targets for a wide range of diseases. The halogenated aromatic core of this compound provides multiple sites for functionalization, allowing chemists to tailor molecular properties such as binding affinity and selectivity. Recent studies have demonstrated that derivatives derived from 1,2-dibromo-4-difluoromethoxy-5-(fluoromethoxy)benzene can effectively disrupt key PPIs involved in cancer progression.

Another emerging application of 1,2-dibromo-4-difluoromethoxy-5-(fluoromethoxy)benzene is in the field of materials science, particularly in the development of advanced materials with tailored electronic properties. The combination of bromine and fluorine substituents on the benzene ring contributes to enhanced thermal stability and chemical resistance, making this compound a suitable candidate for use in organic electronics and optoelectronic devices. Researchers have reported successful incorporation of this compound into organic semiconductors, where it serves as an effective dopant to modulate charge transport properties.

The synthesis of 1,2-dibromo-4-difluoromethoxy-5-(fluoromethoxy)benzene itself is an intriguing challenge due to its complex functionalization pattern. Traditional synthetic routes often involve multi-step halogenation reactions followed by selective methoxylation. However, recent advances in catalytic methods have enabled more efficient and scalable production processes. For example, palladium-catalyzed cross-coupling reactions have been employed to introduce fluorine atoms with high precision, minimizing unwanted side reactions.

From a computational chemistry perspective, the study of 1,2-dibromo-4-difluoromethoxy-5-(fluoromethoxy)benzene has provided valuable insights into the influence of halogen substituents on molecular interactions. Quantum mechanical calculations have revealed that the electron-withdrawing nature of fluorine atoms significantly modulates the electronic distribution across the benzene ring, thereby affecting binding affinities with biological targets. These computational findings have guided experimental efforts toward optimizing lead compounds for drug development.

In conclusion,1,2-Dibromo-4-difluoromethoxy-5-(fluoromethoxy)benzene (CAS No. 1806347-55-6) represents a versatile and promising compound with diverse applications spanning chemical biology and materials science. Its unique structural features make it an invaluable tool for synthesizing novel therapeutic agents and advanced materials. As research continues to uncover new methodologies for functionalization and application development,1,2-Dibromo-4-difluoromethoxy-5-(fluoromethoxy)benzene is poised to play an increasingly significant role in addressing challenges across multiple scientific disciplines.

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