Cas no 148556-87-0 (N-Methyl-8-nitro-7-isoquinolinamine)

N-Methyl-8-nitro-7-isoquinolinamine structure
148556-87-0 structure
Product Name:N-Methyl-8-nitro-7-isoquinolinamine
CAS No:148556-87-0
MF:C10H9N3O2
MW:203.197361707687
CID:903827
PubChem ID:53412421
Update Time:2025-11-02

N-Methyl-8-nitro-7-isoquinolinamine Chemical and Physical Properties

Names and Identifiers

    • N-Methyl-8-nitro-7-isoquinolinamine
    • N-Methyl-8-nitro-7-i
    • N-methyl-8-nitroisoquinolin-7-amine
    • 7-MethylaMino-8-nitroisoquinoline
    • 148556-87-0
    • DB-266483
    • DTXSID00696588
    • 7-Isoquinolinamine, N-methyl-8-nitro-
    • Inchi: 1S/C10H9N3O2/c1-11-9-3-2-7-4-5-12-6-8(7)10(9)13(14)15/h2-6,11H,1H3
    • InChI Key: RLMBGQVSOOBNPE-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1C(=CC=C2C=CN=CC=12)NC)=O

Computed Properties

  • Exact Mass: 203.06900
  • Monoisotopic Mass: 203.069476538g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 241
  • 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: 2.5
  • Topological Polar Surface Area: 70.7?2

Experimental Properties

  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 408.5±35.0 °C at 760 mmHg
  • Flash Point: 200.8±25.9 °C
  • PSA: 70.74000
  • LogP: 2.78090
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

N-Methyl-8-nitro-7-isoquinolinamine Security Information

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N-Methyl-8-nitro-7-isoquinolinamine Production Method

Additional information on N-Methyl-8-nitro-7-isoquinolinamine

Comprehensive Guide to N-Methyl-8-nitro-7-isoquinolinamine (CAS No. 148556-87-0): Properties, Applications, and Research Insights

N-Methyl-8-nitro-7-isoquinolinamine (CAS No. 148556-87-0) is a specialized organic compound belonging to the nitro-substituted isoquinoline family. This compound has garnered significant attention in pharmaceutical and material science research due to its unique molecular structure and potential applications. The presence of both nitro and methylamine functional groups in its framework makes it a versatile intermediate for synthesizing more complex molecules.

Researchers and industry professionals often search for N-Methyl-8-nitro-7-isoquinolinamine uses, CAS 148556-87-0 synthesis methods, and nitro-isoquinoline derivatives due to the growing interest in heterocyclic compounds. Heterocycles like isoquinoline are pivotal in drug discovery, particularly in developing kinase inhibitors and antimicrobial agents. This aligns with current trends in AI-driven drug discovery and green chemistry, where efficient synthesis routes are highly sought after.

The physicochemical properties of N-Methyl-8-nitro-7-isoquinolinamine include a molecular weight of 203.19 g/mol and a nitro group that enhances its reactivity in electrophilic substitution reactions. Its solubility profile—moderate in polar organic solvents like DMSO but limited in water—makes it suitable for organic synthesis under controlled conditions. These characteristics are frequently queried in databases such as Reaxys and SciFinder, reflecting its relevance in medicinal chemistry optimization.

In pharmaceutical research, this compound serves as a precursor for bioactive molecules targeting neurological and inflammatory pathways. Recent studies highlight its role in modulating protein-protein interactions, a hot topic in cancer therapeutics and neurodegenerative disease research. Startups focusing on high-throughput screening often explore such scaffolds to identify novel small-molecule probes.

The synthetic routes to produce N-Methyl-8-nitro-7-isoquinolinamine typically involve nitration of methyl-isoquinoline derivatives, followed by selective amination. Optimizing these methods to reduce byproducts is a key challenge discussed in process chemistry forums. Environmental considerations also drive interest in catalytic nitration techniques, aligning with sustainable chemistry goals.

From a commercial perspective, suppliers list CAS 148556-87-0 with purity grades ranging from 95% to 98%, catering to research-scale and preclinical development needs. Pricing trends correlate with demand from contract research organizations (CROs) and academic labs. Analytical data—such as HPLC chromatograms and NMR spectra—are critical for quality verification, as emphasized in Good Laboratory Practice (GLP) guidelines.

Emerging applications include its use in organic electronics, where nitro-aromatic compounds contribute to electron-transport materials. This intersects with the booming field of flexible electronics and OLED technologies. Patent analyses reveal incremental innovations around this scaffold, particularly in optoelectronic device patents filed in Asia and Europe.

For safe handling, standard precautions for nitro-containing compounds apply, including avoiding strong reductants. While not classified as hazardous under major regulatory frameworks, proper laboratory safety protocols should always be followed. This aspect is frequently addressed in chemical safety webinars and EHS training modules.

In summary, N-Methyl-8-nitro-7-isoquinolinamine (CAS No. 148556-87-0) represents a multifaceted compound with expanding roles in drug discovery and advanced materials. Its integration into AI-assisted molecular design pipelines and green synthesis initiatives underscores its enduring scientific value. Researchers are encouraged to consult recent ACS publications and European Journal of Medicinal Chemistry articles for cutting-edge developments.

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