Cas no 259794-06-4 (Methyl 6-bromo-3-methoxypyrazine-2-carboxylate)

Methyl 6-bromo-3-methoxypyrazine-2-carboxylate is a brominated pyrazine derivative with a methoxy and ester functional group, making it a versatile intermediate in organic synthesis. Its key advantages include high reactivity at the bromine site, enabling selective cross-coupling reactions such as Suzuki or Stille couplings, while the methoxy and ester groups offer additional modification pathways. The compound's stability under standard conditions ensures reliable handling and storage. It is particularly useful in pharmaceutical and agrochemical research for constructing complex heterocyclic frameworks. The well-defined structure and purity of this compound facilitate reproducible results in synthetic applications.
Methyl 6-bromo-3-methoxypyrazine-2-carboxylate structure
259794-06-4 structure
Product Name:Methyl 6-bromo-3-methoxypyrazine-2-carboxylate
CAS No:259794-06-4
MF:C7H7BrN2O3
MW:247.046080827713
MDL:MFCD10697763
CID:1424959
PubChem ID:22248028
Update Time:2025-06-13

Methyl 6-bromo-3-methoxypyrazine-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 6-bromo-3-methoxypyrazine-2-carboxylate
    • Pyrazinecarboxylic acid, 6-bromo-3-methoxy-, methyl ester
    • 6-Bromo-3-methoxy-pyrazine-2-carboxylic acid methyl ester
    • A919354
    • methyl 6-bromo-3-methoxy-2-pyrazinecarboxylate
    • MFCD10697763
    • YWGAPWVOZUZZPK-UHFFFAOYSA-N
    • AKOS024158108
    • EN300-5199449
    • 2-PYRAZINECARBOXYLIC ACID, 6-BROMO-3-METHOXY-, METHYL ESTER
    • 259794-06-4
    • SCHEMBL1474829
    • METHYL6-BROMO-3-METHOXYPYRAZINE-2-CARBOXYLATE
    • AB60430
    • DB-370966
    • N12955
    • MDL: MFCD10697763
    • Inchi: 1S/C7H7BrN2O3/c1-12-6-5(7(11)13-2)10-4(8)3-9-6/h3H,1-2H3
    • InChI Key: YWGAPWVOZUZZPK-UHFFFAOYSA-N
    • SMILES: BrC1=CN=C(C(C(=O)OC)=N1)OC

Computed Properties

  • Exact Mass: 245.96400g/mol
  • Monoisotopic Mass: 245.96400g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 191
  • 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: 1.3
  • Topological Polar Surface Area: 61.3?2

Experimental Properties

  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 295.7±35.0 °C at 760 mmHg
  • Flash Point: 132.6±25.9 °C
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

Methyl 6-bromo-3-methoxypyrazine-2-carboxylate Security Information

Methyl 6-bromo-3-methoxypyrazine-2-carboxylate Pricemore >>

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Additional information on Methyl 6-bromo-3-methoxypyrazine-2-carboxylate

Comprehensive Overview of Methyl 6-bromo-3-methoxypyrazine-2-carboxylate (CAS No. 259794-06-4)

Methyl 6-bromo-3-methoxypyrazine-2-carboxylate (CAS No. 259794-06-4) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This heterocyclic derivative, featuring a pyrazine core, is widely utilized as a key intermediate in the synthesis of bioactive molecules. Its unique structural attributes, including the bromo and methoxy substituents, make it a versatile building block for drug discovery and material science applications.

In recent years, the demand for Methyl 6-bromo-3-methoxypyrazine-2-carboxylate has surged due to its role in developing small-molecule inhibitors and kinase-targeted therapies. Researchers are particularly interested in its potential to modulate enzymatic activity, a topic frequently searched in AI-driven drug design platforms. The compound's carboxylate ester functionality also aligns with trends in green chemistry, as it enables efficient derivatization under mild conditions.

The synthesis of CAS 259794-06-4 typically involves halogenation and esterification steps, with yields optimized for industrial-scale production. Analytical techniques like HPLC and NMR are critical for quality control, addressing common user queries about purity verification methods. Notably, its stability under ambient conditions makes it preferable for high-throughput screening workflows—a hot topic in automated synthetic platforms.

From an SEO perspective, searches for "pyrazine derivatives in drug development" or "brominated heterocycles applications" often lead to discussions about this compound. Its relevance to cancer research and antiviral agents further boosts its visibility in scientific literature. Unlike conventional intermediates, Methyl 6-bromo-3-methoxypyrazine-2-carboxylate offers distinct regioselectivity advantages, a feature highlighted in recent patent filings.

Environmental and safety profiles of 259794-06-4 comply with global regulatory standards, making it suitable for GMP-certified production. This aligns with growing industry focus on sustainable synthetic routes, another frequently searched term. The compound's compatibility with microwave-assisted synthesis—a trending laboratory technique—further enhances its appeal for modern researchers.

In conclusion, Methyl 6-bromo-3-methoxypyrazine-2-carboxylate represents a critical tool for advancing precision medicine and catalyst design. Its multifaceted applications continue to inspire innovations across biochemistry and materials science, solidifying its position as a cornerstone in contemporary organic chemistry.

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