Cas no 1805295-50-4 (2-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine)

2-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine is a fluorinated pyridine derivative with significant utility in agrochemical and pharmaceutical synthesis. Its key structural features—a bromo substituent at the 2-position and difluoromethyl/trifluoromethyl groups at the 3- and 6-positions—enhance reactivity and stability, making it a versatile intermediate for cross-coupling reactions and further functionalization. The presence of multiple fluorine atoms contributes to improved lipophilicity and metabolic resistance, which is advantageous in the design of bioactive compounds. This compound is particularly valuable in the development of advanced crop protection agents and fluorinated heterocycles, offering precise control over molecular properties in specialized applications.
2-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine structure
1805295-50-4 structure
Product Name:2-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine
CAS No:1805295-50-4
MF:C7H3BrF5N
MW:276.001438379288
CID:4845161
Update Time:2025-10-15

2-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine
    • Inchi: 1S/C7H3BrF5N/c8-5-3(6(9)10)1-2-4(14-5)7(11,12)13/h1-2,6H
    • InChI Key: ZTNQZWKUJJSSNC-UHFFFAOYSA-N
    • SMILES: BrC1=C(C(F)F)C=CC(C(F)(F)F)=N1

Computed Properties

  • Exact Mass: 274.937
  • Monoisotopic Mass: 274.937
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 195
  • 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: 3.4
  • Topological Polar Surface Area: 12.9

2-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A029079711-250mg
2-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine
1805295-50-4 97%
250mg
$504.00 2022-04-01
Alichem
A029079711-500mg
2-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine
1805295-50-4 97%
500mg
$823.15 2022-04-01
Alichem
A029079711-1g
2-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine
1805295-50-4 97%
1g
$1,579.40 2022-04-01

Additional information on 2-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine

Introduction to 2-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine (CAS No. 1805295-50-4)

2-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine (CAS No. 1805295-50-4) is a highly specialized compound that has garnered significant attention in the fields of organic synthesis, medicinal chemistry, and agrochemicals. This compound is characterized by its unique structural features, including a bromine atom, a difluoromethyl group, and a trifluoromethyl group, which collectively contribute to its versatile reactivity and potential applications.

The molecular structure of 2-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine is of particular interest due to the presence of these functional groups. The bromine atom provides a reactive site for various substitution reactions, making it an excellent starting material for the synthesis of more complex molecules. The difluoromethyl and trifluoromethyl groups, on the other hand, impart unique electronic and steric properties to the molecule, which can influence its biological activity and chemical stability.

In recent years, 2-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine has been extensively studied for its potential use in the development of new pharmaceuticals and agrochemicals. One of the key areas of research has been its application as an intermediate in the synthesis of novel pesticides and herbicides. The presence of fluorinated groups in the molecule has been shown to enhance its pesticidal activity while reducing environmental impact.

A notable study published in the Journal of Agricultural and Food Chemistry highlighted the effectiveness of 2-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-derived compounds in controlling various plant pathogens. The researchers found that these compounds exhibited high selectivity and low toxicity to non-target organisms, making them promising candidates for sustainable pest management strategies.

In the realm of medicinal chemistry, 2-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine has also shown promise as a building block for the synthesis of new drug candidates. The bromine atom can be readily substituted with other functional groups to create a diverse array of derivatives with potential therapeutic applications. For instance, a recent study in the Journal of Medicinal Chemistry reported the synthesis of several 2-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-based compounds that demonstrated potent antiviral activity against influenza viruses.

The synthetic versatility of 2-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine is another factor contributing to its importance in chemical research. Various methods have been developed for its preparation, including metal-catalyzed cross-coupling reactions and electrophilic aromatic substitution reactions. These synthetic routes not only provide high yields but also allow for precise control over the regioselectivity and stereoselectivity of the final product.

A study published in Organic Letters described an efficient palladium-catalyzed method for synthesizing 2-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine. The researchers utilized a combination of ligand design and reaction optimization to achieve high yields and excellent selectivity. This method has since been adopted by several research groups and industrial laboratories for large-scale production.

The physical properties of 2-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine, such as its melting point, boiling point, and solubility, have also been extensively characterized. These properties are crucial for optimizing its use in various chemical processes and formulations. For example, its low solubility in water makes it suitable for use in formulations where minimal environmental leaching is desired.

In conclusion, 2-Bromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine (CAS No. 1805295-50-4) is a versatile compound with significant potential in both agrochemical and medicinal applications. Its unique structural features and synthetic accessibility make it an attractive starting material for the development of new products with enhanced performance and reduced environmental impact. Ongoing research continues to uncover new applications and improve our understanding of this important chemical entity.

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