Cas no 1086393-00-1 (3-bromo-2-(trifluoromethoxy)pyridine)

3-Bromo-2-(trifluoromethoxy)pyridine is a halogenated pyridine derivative featuring both bromine and trifluoromethoxy substituents, which enhance its reactivity and utility in organic synthesis. The bromine atom serves as a versatile handle for cross-coupling reactions, such as Suzuki or Negishi couplings, while the electron-withdrawing trifluoromethoxy group influences the compound's electronic properties, making it valuable in pharmaceutical and agrochemical applications. Its stability under various reaction conditions and compatibility with transition metal catalysts make it a preferred intermediate for constructing complex heterocyclic frameworks. The compound's well-defined structure and high purity ensure consistent performance in synthetic workflows.
3-bromo-2-(trifluoromethoxy)pyridine structure
1086393-00-1 structure
Product Name:3-bromo-2-(trifluoromethoxy)pyridine
CAS No:1086393-00-1
MF:C6H3BrF3NO
MW:241.993331193924
MDL:MFCD11506285
CID:3163970
PubChem ID:92042961
Update Time:2025-05-20

3-bromo-2-(trifluoromethoxy)pyridine Chemical and Physical Properties

Names and Identifiers

    • 3-bromo-2-(trifluoromethoxy)pyridine
    • AK174186
    • PC53064
    • FCH2346839
    • J3.566.634F
    • CID 92042961
    • Pyridine, 3-bromo-2-(trifluoromethoxy)-
    • AKOS025396409
    • FD10648
    • SCHEMBL21384474
    • 1086393-00-1
    • MFCD11506285
    • AS-62620
    • DB-165375
    • PRYCOFLBUSTFMV-UHFFFAOYSA-N
    • EN300-1664188
    • 889-104-2
    • LTB39300
    • MDL: MFCD11506285
    • Inchi: 1S/C6H3BrF3NO/c7-4-2-1-3-11-5(4)12-6(8,9)10/h1-3H
    • InChI Key: PRYCOFLBUSTFMV-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CN=C1OC(F)(F)F

Computed Properties

  • Exact Mass: 240.93501g/mol
  • Monoisotopic Mass: 240.93501g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 152
  • 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
  • Topological Polar Surface Area: 22.1
  • XLogP3: 3.1

Experimental Properties

  • Density: 1.737±0.06 g/cm3(Predicted)
  • Boiling Point: 151.6±35.0 °C(Predicted)
  • pka: -2.54±0.29(Predicted)

3-bromo-2-(trifluoromethoxy)pyridine Security Information

  • Storage Condition:Keep in dark place,Inert atmosphere,Room temperature

3-bromo-2-(trifluoromethoxy)pyridine Customs Data

  • HS CODE:2933399990

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3-bromo-2-(trifluoromethoxy)pyridine Related Literature

Additional information on 3-bromo-2-(trifluoromethoxy)pyridine

3-Bromo-2-(trifluoromethoxy)pyridine (CAS 1086393-00-1): Properties, Applications, and Market Insights

3-Bromo-2-(trifluoromethoxy)pyridine (CAS 1086393-00-1) is a specialized halogenated pyridine derivative that has gained significant attention in pharmaceutical and agrochemical research. This compound, featuring a bromine substituent at the 3-position and a trifluoromethoxy group at the 2-position of the pyridine ring, exhibits unique electronic and steric properties that make it valuable for designing bioactive molecules.

The molecular structure of 3-bromo-2-(trifluoromethoxy)pyridine combines the electron-withdrawing effects of both bromine and trifluoromethoxy groups, creating a distinctive electronic profile that influences its reactivity. This characteristic has made it particularly interesting for researchers developing kinase inhibitors and central nervous system (CNS) targeting compounds, which are currently hot topics in drug discovery.

In pharmaceutical applications, 3-bromo-2-(trifluoromethoxy)pyridine serves as a key building block for heterocyclic compounds with potential therapeutic effects. Recent studies have explored its use in developing treatments for neurological disorders, a field that has seen increased research activity due to growing awareness of mental health issues. The compound's ability to modulate protein-protein interactions makes it valuable for addressing challenging biological targets.

The agrochemical industry has also shown interest in CAS 1086393-00-1 derivatives for developing novel pesticides with improved environmental profiles. As sustainability becomes a major concern in agriculture, researchers are investigating how the unique properties of 3-bromo-2-(trifluoromethoxy)pyridine can contribute to more targeted and eco-friendly crop protection solutions.

Synthetic approaches to 3-bromo-2-(trifluoromethoxy)pyridine typically involve halogenation reactions of pyridine precursors or through cross-coupling methodologies. Recent advancements in flow chemistry and continuous processing have improved the efficiency of producing this compound, addressing common questions about scalable synthesis in industrial settings.

Market analysis indicates growing demand for halogenated pyridine derivatives like 3-bromo-2-(trifluoromethoxy)pyridine, particularly in Asia-Pacific regions where pharmaceutical innovation is accelerating. The compound's versatility in medicinal chemistry has positioned it as a valuable intermediate for contract research organizations and drug development companies.

From a regulatory perspective, 3-bromo-2-(trifluoromethoxy)pyridine requires careful handling according to standard laboratory safety protocols. While not classified as hazardous under normal conditions, proper personal protective equipment should be used when working with this compound, as with all chemical substances.

Recent patent literature reveals increasing applications of CAS 1086393-00-1 in developing treatments for inflammatory diseases and certain types of cancer. These therapeutic areas represent significant unmet medical needs and are frequently searched topics in scientific databases, reflecting the compound's relevance to current research trends.

The physicochemical properties of 3-bromo-2-(trifluoromethoxy)pyridine, including its solubility profile and stability characteristics, make it particularly suitable for formulation development. These attributes are crucial considerations for pharmaceutical scientists addressing common formulation challenges in drug development.

As the chemical industry moves toward greener processes, researchers are investigating more sustainable routes to produce 3-bromo-2-(trifluoromethoxy)pyridine. This aligns with growing environmental concerns and the pharmaceutical industry's focus on reducing its ecological footprint, topics that frequently appear in industry publications and conferences.

Quality control of 3-bromo-2-(trifluoromethoxy)pyridine typically involves advanced analytical techniques such as HPLC and GC-MS to ensure purity standards required for pharmaceutical applications. The compound's characterization data, including spectroscopic properties, are well-documented in scientific literature, providing valuable references for quality assurance protocols.

In conclusion, 3-bromo-2-(trifluoromethoxy)pyridine (CAS 1086393-00-1) represents an important heterocyclic building block with diverse applications in life sciences research. Its unique structural features continue to inspire innovative applications in drug discovery and agricultural chemistry, positioning it as a compound of ongoing interest in scientific and industrial communities.

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