Cas no 169044-97-7 (7-Nitroisoindolin-1-one)

7-Nitroisoindolin-1-one is a nitro-substituted isoindolinone derivative with notable applications in organic synthesis and pharmaceutical research. Its structure features a nitro group at the 7-position, enhancing reactivity for further functionalization, making it a valuable intermediate in the development of heterocyclic compounds. The compound exhibits stability under standard conditions, facilitating handling and storage. Its electron-withdrawing nitro group also contributes to its utility in nucleophilic substitution reactions and as a precursor for bioactive molecules. Researchers favor 7-Nitroisoindolin-1-one for its consistent purity and compatibility with diverse synthetic pathways, supporting advancements in medicinal chemistry and material science.
7-Nitroisoindolin-1-one structure
7-Nitroisoindolin-1-one structure
Product Name:7-Nitroisoindolin-1-one
CAS No:169044-97-7
MF:C8H6N2O3
MW:178.14484167099
MDL:MFCD09376378
CID:1026252
PubChem ID:16227948
Update Time:2025-10-29

7-Nitroisoindolin-1-one Chemical and Physical Properties

Names and Identifiers

    • 7-Nitroisoindolin-1-one
    • 7-Nitro-2,3-dihydro-isoindol-1-one
    • 7-nitro-2,3-dihydroisoindol-1-one
    • AKOS BBR-004674
    • 7-Ntroisoindolin-1-one
    • 1H-Isoindol-1-one, 2,3-dihydro-7-nitro-
    • SY169922
    • DTXSID50585473
    • MFCD09376378
    • DB-064722
    • J-010502
    • EN300-27479
    • P18088
    • AB50574
    • AM20120462
    • AKOS000117928
    • SCHEMBL1585545
    • Z235343923
    • LCDQMYJTXPCJLX-UHFFFAOYSA-N
    • BS-21713
    • 7-NITRO-2,3-DIHYDRO-1H-ISOINDOL-1-ONE
    • 169044-97-7
    • CS-0043569
    • MDL: MFCD09376378
    • Inchi: 1S/C8H6N2O3/c11-8-7-5(4-9-8)2-1-3-6(7)10(12)13/h1-3H,4H2,(H,9,11)
    • InChI Key: LCDQMYJTXPCJLX-UHFFFAOYSA-N
    • SMILES: O=C1C2C(=CC=CC=2CN1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 178.03784206g/mol
  • Monoisotopic Mass: 178.03784206g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 248
  • 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: 0.6
  • Topological Polar Surface Area: 74.9?2

7-Nitroisoindolin-1-one Pricemore >>

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7-Nitroisoindolin-1-one Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:169044-97-7)7-Nitroisoindolin-1-one
Order Number:A1027943
Stock Status:in Stock
Quantity:500mg/25g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 15:35
Price ($):203.0/1785.0

Additional information on 7-Nitroisoindolin-1-one

Introduction to 7-Nitroisoindolin-1-one (CAS No. 169044-97-7)

7-Nitroisoindolin-1-one (CAS No. 169044-97-7) is a heterocyclic organic compound that has garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural and functional properties. This compound belongs to the isoindoline class, characterized by a bicyclic structure consisting of a benzene ring fused to a pyrrole ring. The presence of a nitro group at the 7-position introduces electrophilic reactivity, making it a versatile intermediate in synthetic chemistry and a potential candidate for drug development.

The structure of 7-Nitroisoindolin-1-one features a nitro-substituted isoindoline core, which contributes to its reactivity and biological activity. The nitro group can undergo reduction to form an amine, or it can participate in nucleophilic substitution reactions, allowing for further functionalization. This flexibility makes it a valuable building block in the synthesis of more complex molecules, particularly in medicinal chemistry.

In recent years, 7-Nitroisoindolin-1-one has been explored for its potential applications in the development of bioactive molecules. One of the most promising areas of research is its use as a precursor in the synthesis of pharmaceutical intermediates. The isoindoline scaffold is known to be present in several biologically active compounds, including those with anticancer, antimicrobial, and anti-inflammatory properties. The nitro group further enhances its utility by providing a site for chemical modification.

Recent studies have highlighted the role of 7-Nitroisoindolin-1-one in the development of anticancer agents. Researchers have demonstrated that derivatives of this compound can inhibit the growth of various cancer cell lines by interfering with key signaling pathways involved in cell proliferation and survival. For instance, modifications at the nitrogen position of the isoindoline ring have been shown to enhance binding affinity to specific protein targets, leading to potent cytotoxic effects.

The synthesis of 7-Nitroisoindolin-1-one typically involves nitration of isoindoline precursors under controlled conditions. Advances in synthetic methodologies have enabled more efficient and scalable production processes, making it more accessible for research purposes. Modern techniques such as catalytic hydrogenation and transition-metal-catalyzed reactions have improved yields and purity, facilitating further downstream applications.

Beyond its role as a synthetic intermediate, 7-Nitroisoindolin-1-one has also been investigated for its potential in material science applications. The unique electronic properties of the nitro-substituted isoindoline core make it suitable for use in organic electronics, including light-emitting diodes (OLEDs) and photovoltaic cells. The ability to tune the electronic characteristics through structural modifications offers exciting possibilities for developing novel optoelectronic materials.

In conclusion, 7-Nitroisoindolin-1-one (CAS No. 169044-97-7) is a multifaceted compound with significant implications in pharmaceuticals and materials science. Its versatile structure and reactivity make it an invaluable tool for researchers seeking to develop new bioactive molecules and advanced materials. As synthetic methodologies continue to evolve, the potential applications of this compound are likely to expand further, solidifying its importance in modern chemical research.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:169044-97-7)7-Nitroisoindolin-1-one
A1027943
Purity:99%/99%
Quantity:500mg/25g
Price ($):203.0/1785.0
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