Cas no 943606-83-5 (6-methyl-5-nitro-2-oxido-isoquinolin-2-ium)

6-Methyl-5-nitro-2-oxido-isoquinolin-2-ium is a nitro-substituted isoquinolinium derivative with potential applications in organic synthesis and pharmaceutical research. Its structure features a methyl group at the 6-position and a nitro group at the 5-position, which may enhance reactivity in electrophilic or nucleophilic substitution reactions. The oxido group at the 2-position contributes to its zwitterionic character, offering unique solubility and stability properties. This compound could serve as a versatile intermediate for the development of heterocyclic compounds or bioactive molecules. Its well-defined molecular architecture makes it suitable for studies in medicinal chemistry, particularly in the design of nitrogen-containing scaffolds.
6-methyl-5-nitro-2-oxido-isoquinolin-2-ium structure
943606-83-5 structure
Product Name:6-methyl-5-nitro-2-oxido-isoquinolin-2-ium
CAS No:943606-83-5
MF:C10H8N2O3
MW:204.18212223053
CID:5019866
PubChem ID:67341016
Update Time:2026-02-28

6-methyl-5-nitro-2-oxido-isoquinolin-2-ium Chemical and Physical Properties

Names and Identifiers

    • Isoquinoline, 6-methyl-5-nitro-, 2-oxide
    • 6-methyl-5-nitroisoquinoline N-oxide
    • 6-methyl-5-nitroisoquinoline-2-oxide
    • 6-methyl-5-nitroisoquinoline-N-oxide
    • SB12627
    • Isoquinoline,6-methyl-5-nitro-,2-oxide
    • 6-methyl-5-nitro-2-oxidoisoquinolin-2-ium
    • 6-methyl-5-nitro-2-oxido-isoquinolin-2-ium
    • DA-40285
    • SCHEMBL2267181
    • 943606-83-5
    • 6-Methyl-5-nitroisoquinoline2-oxide
    • F76352
    • SJCNLOPXPBCMGQ-UHFFFAOYSA-N
    • 6-methyl-5-nitroisoquinolin-2-ium-2-olate
    • 6-Methyl-5-nitroisoquinoline 2-oxide
    • Inchi: 1S/C10H8N2O3/c1-7-2-3-8-6-11(13)5-4-9(8)10(7)12(14)15/h2-6H,1H3
    • InChI Key: SJCNLOPXPBCMGQ-UHFFFAOYSA-N
    • SMILES: [O-][N+]1C=CC2C(=C(C)C=CC=2C=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 204.05349212g/mol
  • Monoisotopic Mass: 204.05349212g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 0
  • Complexity: 254
  • 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: 71.3

6-methyl-5-nitro-2-oxido-isoquinolin-2-ium Pricemore >>

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6-methyl-5-nitro-2-oxido-isoquinolin-2-ium Related Literature

Additional information on 6-methyl-5-nitro-2-oxido-isoquinolin-2-ium

6-Methyl-5-Nitro-2-Oxido-Isoquinolinium (CAS No. 943606-83-5): A Comprehensive Overview

The compound 6-methyl-5-nitro-2-oxido-isoquinolinium (CAS No. 943606-83-5) is a highly specialized organic molecule belonging to the isoquinoline family. This compound has garnered significant attention in recent years due to its unique structural features and promising applications in various fields, including materials science, pharmaceuticals, and electrochemistry. The molecule's structure is characterized by a methyl group at the 6-position, a nitro group at the 5-position, and an oxido group at the 2-position of the isoquinoline ring system. These functional groups impart distinctive electronic and optical properties to the molecule, making it a subject of extensive research.

Recent studies have highlighted the potential of isoquinoline derivatives like 6-methyl-5-nitro-2-oxido-isoquinolinium in organic electronics. The presence of the nitro group significantly enhances the molecule's electron-withdrawing capability, which is crucial for applications in light-emitting diodes (LEDs) and photovoltaic devices. Researchers have demonstrated that this compound can serve as an efficient electron transport layer in organic solar cells, improving device efficiency by facilitating charge separation and reducing recombination losses.

In addition to its electronic properties, cas 943606-83-5 has shown remarkable photophysical characteristics. The molecule exhibits strong absorption in the visible region of the spectrum, making it a candidate for applications in optical sensors and imaging technologies. Recent advancements in fluorescence-based sensing have leveraged the compound's ability to emit light upon excitation, enabling its use in detecting environmental pollutants and biological molecules with high sensitivity.

The synthesis of 6-methyl-5-nitro-2-oxydo isoquinolinium involves a multi-step process that combines traditional organic synthesis techniques with modern catalytic methods. Researchers have optimized reaction conditions to achieve high yields and purity levels, ensuring that the compound meets the stringent requirements of industrial applications. The use of transition metal catalysts has been particularly effective in facilitating key transformations during the synthesis process.

One of the most exciting developments involving cas no 943606835 is its role in drug discovery. The isoquinoline core is a well-known scaffold in medicinal chemistry due to its ability to interact with various biological targets. The introduction of substituents like methyl and nitro groups further enhances the molecule's bioactivity, making it a promising candidate for anti-cancer and anti-inflammatory therapies. Preclinical studies have shown that this compound exhibits selective cytotoxicity against cancer cells while sparing healthy cells, indicating its potential as a targeted therapeutic agent.

The electrochemical properties of cas no 943606835 have also been extensively studied. The molecule's ability to undergo reversible redox processes makes it an ideal candidate for use in supercapacitors and batteries. Recent research has focused on integrating this compound into energy storage devices, where it has demonstrated superior performance compared to traditional materials.

In conclusion, cas no 943606835, or 6-methyl-5-nitro-oxydo isoquinolinium, represents a cutting-edge material with diverse applications across multiple disciplines. Its unique combination of electronic, optical, and chemical properties positions it as a key player in advancing modern technologies. As research continues to uncover new potential uses for this compound, its impact on science and industry is expected to grow significantly.

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