Cas no 1379359-54-2 (3-Bromo-6-methyl-2-nitropyridine)

3-Bromo-6-methyl-2-nitropyridine is a heterocyclic compound featuring a pyridine core substituted with bromo, methyl, and nitro functional groups at the 3, 6, and 2 positions, respectively. This structure makes it a valuable intermediate in organic synthesis, particularly for pharmaceutical and agrochemical applications. The bromo and nitro groups enhance reactivity, facilitating further functionalization through cross-coupling or nucleophilic substitution reactions. The methyl group at the 6-position contributes to steric and electronic modulation, influencing regioselectivity in subsequent transformations. Its well-defined reactivity profile and stability under standard conditions make it a practical choice for constructing complex nitrogen-containing frameworks. Suitable for use under controlled laboratory conditions, it requires handling with appropriate safety precautions.
3-Bromo-6-methyl-2-nitropyridine structure
1379359-54-2 structure
Product Name:3-Bromo-6-methyl-2-nitropyridine
CAS No:1379359-54-2
MF:C6H5BrN2O2
MW:217.020100355148
MDL:MFCD17014966
CID:4592716
PubChem ID:59227452
Update Time:2025-05-22

3-Bromo-6-methyl-2-nitropyridine Chemical and Physical Properties

Names and Identifiers

    • 5-bromo-2-methyl-6-nitropyridine
    • 3-bromo-6-methyl-2-nitropyridine
    • 3-Bromo-6-methyl-2-nitro-pyridine
    • Pyridine, 3-bromo-6-methyl-2-nitro-
    • FCH1351870
    • TRA0079891
    • OR345532
    • 1379359-54-2
    • SCHEMBL10025751
    • AS-62074
    • AKOS037645670
    • D92881
    • 3-Bromo-6-methyl-2-nitropyridine
    • MDL: MFCD17014966
    • Inchi: 1S/C6H5BrN2O2/c1-4-2-3-5(7)6(8-4)9(10)11/h2-3H,1H3
    • InChI Key: YPLZSMVVNLHUFX-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(C)=NC=1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 215.95344g/mol
  • Monoisotopic Mass: 215.95344g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 159
  • 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: 58.7
  • XLogP3: 2.1

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Additional information on 3-Bromo-6-methyl-2-nitropyridine

3-Bromo-6-methyl-2-nitropyridine: A Comprehensive Overview

The compound CAS No. 1379359-54-2, also known as 3-Bromo-6-methyl-2-nitropyridine, is a significant molecule in the field of organic chemistry. This compound has garnered attention due to its unique structural properties and potential applications in various scientific domains. The molecule consists of a pyridine ring with substituents at positions 2, 3, and 6, specifically a nitro group at position 2, a bromine atom at position 3, and a methyl group at position 6. These substituents contribute to the compound's reactivity and functionality, making it a valuable compound for research and development.

Recent studies have highlighted the importance of 3-Bromo-6-methyl-2-nitropyridine in the synthesis of advanced materials. Researchers have explored its role in creating novel polymers and high-performance composites. The nitro group at position 2 is particularly reactive, enabling the compound to participate in various nucleophilic aromatic substitution reactions. This property has been exploited in the development of new pharmaceutical intermediates and agrochemicals.

In the context of drug discovery, 3-Bromo-6-methyl-2-nitropyridine has shown promise as a precursor for bioactive compounds. Its ability to undergo selective transformations under mild conditions makes it an attractive candidate for medicinal chemists. For instance, recent research has demonstrated its utility in synthesizing anti-inflammatory agents and anticancer drugs. The methyl group at position 6 plays a crucial role in modulating the compound's pharmacokinetic properties, enhancing its bioavailability.

The synthesis of CAS No. 1379359-54-2 involves a multi-step process that combines traditional organic synthesis techniques with modern catalytic methods. The key steps include nitration, bromination, and methylation reactions, each carefully optimized to ensure high yields and purity. The development of efficient synthetic routes for this compound has been a focus of recent studies, driven by its increasing demand in both academic and industrial settings.

Beyond its chemical applications, 3-Bromo-6-methyl-2-nitropyridine has also found relevance in environmental science. Its ability to act as a catalyst in certain oxidation reactions has been explored for waste water treatment applications. Researchers have reported that the compound can facilitate the breakdown of organic pollutants under specific conditions, offering a potential solution to environmental contamination issues.

In conclusion, CAS No. 1379359-54-2, or 3-Bromo-6-methyl-2-nitropyridine, is a versatile compound with wide-ranging applications across multiple disciplines. Its unique chemical structure and reactivity make it an invaluable tool for scientists and engineers alike. As research continues to uncover new uses for this compound, its significance in both academic and industrial contexts is expected to grow further.

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