Cas no 60323-99-1 (2-Bromo-6-methyl-4-nitropyridine 1-oxide)

2-Bromo-6-methyl-4-nitropyridine 1-oxide is a heterocyclic compound featuring a pyridine core substituted with bromo, methyl, nitro, and N-oxide functional groups. This structurally versatile intermediate is valuable in organic synthesis, particularly in pharmaceutical and agrochemical research, due to its reactivity in nucleophilic substitution and cross-coupling reactions. The presence of both electron-withdrawing (nitro, N-oxide) and electron-donating (methyl) groups enhances its utility in regioselective transformations. Its crystalline solid form and well-defined reactivity profile make it a reliable building block for constructing complex nitrogen-containing frameworks. The compound is typically handled under controlled conditions due to its sensitivity to light and moisture.
2-Bromo-6-methyl-4-nitropyridine 1-oxide structure
60323-99-1 structure
Product Name:2-Bromo-6-methyl-4-nitropyridine 1-oxide
CAS No:60323-99-1
MF:C6H5BrN2O3
MW:233.019500494003
MDL:MFCD01194033
CID:855097
PubChem ID:2751816
Update Time:2025-11-02

2-Bromo-6-methyl-4-nitropyridine 1-oxide Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-6-methyl-4-nitropyridine 1-oxide
    • 2-bromo-6-methyl-4-nitro-1-oxidopyridin-1-ium
    • 2-BROMO-6-METHYL-4-NITROPYRIDIN-1-OXIDE
    • 6-Bromo-2-methyl-4-nitropyridine-n-oxide
    • 2-bromo-6-methyl-4-nitropyridine N-oxide
    • 2-bromo-6-methyl-4-nitro-pyridine-1-oxide
    • 2-bromo-6-methyl-4-nitropyridine1-oxide
    • 2-bromo-6-methyl-4-nitro-pyridine 1-oxide
    • 60323-99-1
    • AKOS004906940
    • DTXSID00372855
    • DB-072776
    • 2-?bromo-?6-?methyl-?4-?nitropyridine 1-?oxide
    • SCHEMBL942208
    • G90082
    • J-400276
    • FXJATGFTSNBVNK-UHFFFAOYSA-N
    • 6-Bromo-2-methyl-4-Nitropyridine-n-oxide,97%
    • 2-BROMO-6-METHYL-4-NITROPYRIDIN-1-IUM-1-OLATE
    • 2-Bromo-6-methyl-4-nitro-1-oxo-1lambda~5~-pyridine
    • MDL: MFCD01194033
    • Inchi: 1S/C6H5BrN2O3/c1-4-2-5(9(11)12)3-6(7)8(4)10/h2-3H,1H3
    • InChI Key: FXJATGFTSNBVNK-UHFFFAOYSA-N
    • SMILES: BrC1=CC(=CC(C)=[N+]1[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 231.94800
  • Monoisotopic Mass: 231.94835g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 184
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.1
  • Topological Polar Surface Area: 71.3?2

Experimental Properties

  • PSA: 71.28000
  • LogP: 2.61740

2-Bromo-6-methyl-4-nitropyridine 1-oxide Security Information

2-Bromo-6-methyl-4-nitropyridine 1-oxide Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 2-Bromo-6-methyl-4-nitropyridine 1-oxide

2-Bromo-6-methyl-4-nitropyridine 1-oxide (CAS No. 60323-99-1): Properties, Applications, and Market Insights

2-Bromo-6-methyl-4-nitropyridine 1-oxide (CAS No. 60323-99-1) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research. This nitropyridine derivative exhibits unique chemical properties due to its molecular structure, featuring a bromo substituent at the 2-position, a methyl group at the 6-position, and a nitro group at the 4-position, all attached to a pyridine N-oxide core. Researchers frequently search for "2-Bromo-6-methyl-4-nitropyridine 1-oxide synthesis" or "CAS 60323-99-1 applications," reflecting its importance in synthetic chemistry.

The compound's molecular formula (C6H5BrN2O3) and molecular weight (233.02 g/mol) make it particularly useful as a building block in medicinal chemistry. Recent trends in drug discovery highlight the growing demand for pyridine N-oxide derivatives, with scientists exploring their potential as kinase inhibitors or antimicrobial agents. The presence of both bromo and nitro functional groups in 2-Bromo-6-methyl-4-nitropyridine 1-oxide allows for diverse chemical transformations, making it valuable for creating molecular libraries in high-throughput screening.

In material science, 60323-99-1 has shown promise in the development of organic electronic materials. Its electron-withdrawing characteristics and stable aromatic system contribute to interesting charge transport properties. Many researchers investigating "nitropyridine-based semiconductors" or "pyridine N-oxide in OLEDs" have found this compound particularly interesting. The methyl group at the 6-position provides steric control in molecular packing, which can influence material performance in thin-film devices.

The synthetic versatility of 2-Bromo-6-methyl-4-nitropyridine 1-oxide makes it valuable for cross-coupling reactions, particularly in Suzuki-Miyaura or Buchwald-Hartwig couplings. Pharmaceutical chemists often search for "pyridine N-oxide in drug design" due to its ability to improve solubility and bioavailability of potential drug candidates. The compound's nitro group can be readily reduced to an amine, allowing for further functionalization in multi-step syntheses.

From a commercial perspective, the global market for specialty pyridine derivatives like CAS 60323-99-1 has grown steadily, driven by increased R&D investment in pharmaceutical and agricultural sectors. Suppliers frequently receive inquiries about "2-Bromo-6-methyl-4-nitropyridine 1-oxide price" and "bulk availability of nitropyridine N-oxide," indicating strong industrial demand. The compound typically appears as a pale yellow to orange crystalline powder with good stability under standard storage conditions.

Analytical characterization of 2-Bromo-6-methyl-4-nitropyridine 1-oxide typically includes 1H NMR (showing characteristic aromatic proton signals between 7.5-8.5 ppm), 13C NMR, and mass spectrometry. The N-oxide functionality creates distinct spectroscopic features that help researchers identify and quantify the compound in complex mixtures. Many laboratory searches focus on "60323-99-1 NMR data" or "nitropyridine N-oxide spectroscopy," underscoring the need for reliable analytical references.

Environmental and safety considerations for handling 2-Bromo-6-methyl-4-nitropyridine 1-oxide follow standard laboratory protocols for nitroaromatic compounds. While not classified as highly hazardous, proper personal protective equipment (PPE) including gloves and safety glasses is recommended. Researchers often look up "pyridine N-oxide safety data" or "brominated nitropyridine handling" to ensure compliance with laboratory safety standards.

Future research directions for CAS 60323-99-1 may explore its potential in catalysis or as a ligand in transition metal complexes. The compound's ability to coordinate through both the N-oxide oxygen and nitro group could lead to novel catalytic systems. Recent publications have investigated similar structures in "asymmetric synthesis" and "organocatalysis," suggesting expanding applications for this chemical scaffold.

In summary, 2-Bromo-6-methyl-4-nitropyridine 1-oxide represents an important heterocyclic building block with diverse applications across chemical research. Its combination of bromo, methyl, nitro, and N-oxide functionalities provides multiple handles for chemical modification, making it valuable for both academic and industrial research. As synthetic methodologies advance and new applications emerge in materials science and medicinal chemistry, the significance of this nitropyridine derivative is likely to grow further.

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