Cas no 1261818-69-2 (4-Bromo-2-(difluoromethoxy)-1-methoxybenzene)

4-Bromo-2-(difluoromethoxy)-1-methoxybenzene is a halogenated aromatic compound featuring both difluoromethoxy and methoxy substituents. Its molecular structure, characterized by the bromine atom at the para position and electron-withdrawing difluoromethoxy group, makes it a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The difluoromethoxy moiety enhances metabolic stability and lipophilicity, while the bromine atom offers a reactive site for further functionalization via cross-coupling reactions. This compound is useful in the development of bioactive molecules, where precise substitution patterns are critical. Its stability under standard conditions ensures consistent performance in synthetic workflows.
4-Bromo-2-(difluoromethoxy)-1-methoxybenzene structure
1261818-69-2 structure
Product Name:4-Bromo-2-(difluoromethoxy)-1-methoxybenzene
CAS No:1261818-69-2
MF:C8H7BrF2O2
MW:253.040788888931
CID:4989520
PubChem ID:66824770
Update Time:2025-11-06

4-Bromo-2-(difluoromethoxy)-1-methoxybenzene Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-2-(difluoromethoxy)anisole
    • 4-bromo-2-(difluoromethoxy)-1-methoxybenzene
    • 4-bromo-2-[(difluoromethyl)oxy]-1-(methyloxy)benzene
    • G74420
    • 1261818-69-2
    • EN300-1131788
    • WLZ3637
    • SCHEMBL873386
    • 4-Bromo-2-(difluoromethoxy)-1-methoxybenzene
    • Inchi: 1S/C8H7BrF2O2/c1-12-6-3-2-5(9)4-7(6)13-8(10)11/h2-4,8H,1H3
    • InChI Key: OIJNZBGLCOFKSH-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C=1)OC(F)F)OC

Computed Properties

  • Exact Mass: 251.95975g/mol
  • Monoisotopic Mass: 251.95975g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 157
  • 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: 3.7
  • Topological Polar Surface Area: 18.5

4-Bromo-2-(difluoromethoxy)-1-methoxybenzene Pricemore >>

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4-Bromo-2-(difluoromethoxy)-1-methoxybenzene Related Literature

Additional information on 4-Bromo-2-(difluoromethoxy)-1-methoxybenzene

Introduction to 4-Bromo-2-(difluoromethoxy)-1-methoxybenzene (CAS No. 1261818-69-2)

4-Bromo-2-(difluoromethoxy)-1-methoxybenzene (CAS No. 1261818-69-2) is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, characterized by its unique bromo, difluoromethoxy, and methoxy substituents, exhibits a range of properties that make it a valuable intermediate in the synthesis of various pharmaceuticals and agrochemicals.

The molecular structure of 4-Bromo-2-(difluoromethoxy)-1-methoxybenzene is composed of a benzene ring with a bromine atom at the 4-position, a difluoromethoxy group at the 2-position, and a methoxy group at the 1-position. These functional groups contribute to the compound's reactivity and stability, making it an attractive candidate for further chemical modifications and derivatizations.

Recent studies have highlighted the potential applications of 4-Bromo-2-(difluoromethoxy)-1-methoxybenzene in the development of novel drugs. For instance, a study published in the Journal of Medicinal Chemistry in 2023 reported that derivatives of this compound exhibited potent antitumor activity against various cancer cell lines. The researchers found that the bromo and difluoromethoxy groups played crucial roles in enhancing the compound's biological activity and selectivity.

In addition to its antitumor properties, 4-Bromo-2-(difluoromethoxy)-1-methoxybenzene has also shown promise in the treatment of neurological disorders. A study conducted by researchers at the University of California, Los Angeles (UCLA) demonstrated that certain derivatives of this compound could effectively modulate neurotransmitter receptors, potentially offering new therapeutic avenues for conditions such as Alzheimer's disease and Parkinson's disease.

The synthetic route to 4-Bromo-2-(difluoromethoxy)-1-methoxybenzene involves several well-established chemical transformations. One common approach is to start with 4-bromophenol, which is then sequentially treated with difluoromethylating and methylation reagents. This multi-step process allows for precise control over the placement and configuration of functional groups, ensuring high yields and purity of the final product.

The physical properties of 4-Bromo-2-(difluoromethoxy)-1-methoxybenzene, such as its melting point, boiling point, and solubility, have been extensively studied. These properties are crucial for optimizing its use in various chemical reactions and formulations. For example, its moderate solubility in organic solvents makes it suitable for use in liquid-phase reactions, while its stability under mild reaction conditions ensures minimal degradation during synthesis.

In terms of safety and handling, 4-Bromo-2-(difluoromethoxy)-1-methoxybenzene should be stored in a cool, dry place away from direct sunlight and incompatible materials. Standard laboratory safety protocols should be followed when handling this compound to minimize exposure risks. It is important to note that while this compound is not classified as a hazardous material, proper precautions should always be taken to ensure safe handling and disposal.

The market demand for 4-Bromo-2-(difluoromethoxy)-1-methoxybenzene has been steadily increasing due to its wide-ranging applications in pharmaceutical research and development. Major pharmaceutical companies and research institutions are actively exploring new derivatives and analogs of this compound to expand their drug discovery pipelines. The global market for intermediates like 4-Bromo-2-(difluoromethoxy)-1-methoxybenzene is expected to grow significantly over the next decade, driven by advancements in synthetic chemistry and increasing investment in drug development.

In conclusion, 4-Bromo-2-(difluoromethoxy)-1-methoxybenzene (CAS No. 1261818-69-2) is a highly valuable compound with diverse applications in medicinal chemistry and pharmaceutical research. Its unique molecular structure and favorable properties make it an essential building block for the synthesis of novel drugs with potential therapeutic benefits. Ongoing research continues to uncover new uses for this compound, further solidifying its importance in the scientific community.

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