Cas no 1067192-68-0 (2-(2-bromo-4-nitrophenyl)-2-methylpropanenitrile)

2-(2-bromo-4-nitrophenyl)-2-methylpropanenitrile structure
1067192-68-0 structure
Product Name:2-(2-bromo-4-nitrophenyl)-2-methylpropanenitrile
CAS No:1067192-68-0
MF:C10H9BrN2O2
MW:269.094661474228
MDL:MFCD30473044
CID:4760475
PubChem ID:67545501
Update Time:2025-07-19

2-(2-bromo-4-nitrophenyl)-2-methylpropanenitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(2-bromo-4-nitro-phenyl)-2-methyl-propionitrile
    • 2-(2-bromo-4-nitrophenyl)-2-methylpropanenitrile
    • A937726
    • MDL: MFCD30473044
    • Inchi: 1S/C10H9BrN2O2/c1-10(2,6-12)8-4-3-7(13(14)15)5-9(8)11/h3-5H,1-2H3
    • SMILES: BrC1C=C(C=CC=1C(C#N)(C)C)[N+](=O)[O-]

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 302
  • XLogP3: 3
  • Topological Polar Surface Area: 69.6

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Additional information on 2-(2-bromo-4-nitrophenyl)-2-methylpropanenitrile

Introduction to 2-(2-bromo-4-nitrophenyl)-2-methylpropanenitrile (CAS No. 1067192-68-0)

2-(2-bromo-4-nitrophenyl)-2-methylpropanenitrile, with the CAS number 1067192-68-0, is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and materials science. This compound is characterized by its unique structural features, which include a bromo and nitro substituent on a phenyl ring, along with a methylpropanenitrile moiety. These functional groups endow the molecule with a range of chemical and physical properties that make it an attractive candidate for various applications.

The synthesis of 2-(2-bromo-4-nitrophenyl)-2-methylpropanenitrile typically involves multi-step reactions, starting from readily available starting materials. One common synthetic route involves the bromination of 4-nitroacetophenone followed by a series of transformations to introduce the methylpropanenitrile group. The detailed synthetic protocols have been extensively studied and optimized, leading to high yields and purity levels. These advancements in synthetic chemistry have facilitated the large-scale production of this compound, making it more accessible for research and industrial applications.

In the realm of medicinal chemistry, 2-(2-bromo-4-nitrophenyl)-2-methylpropanenitrile has shown promise as a lead compound for the development of novel therapeutic agents. Recent studies have explored its potential as an inhibitor of specific enzymes and receptors, which are implicated in various diseases. For instance, research has demonstrated that this compound can effectively inhibit the activity of certain kinases, which are key players in signal transduction pathways involved in cancer progression. Additionally, its ability to modulate G protein-coupled receptors (GPCRs) has been investigated, highlighting its potential as a therapeutic agent for neurological disorders.

The biological activity of 2-(2-bromo-4-nitrophenyl)-2-methylpropanenitrile has been evaluated through a series of in vitro and in vivo experiments. In cell-based assays, it has exhibited potent cytotoxic effects against various cancer cell lines, including those derived from breast, lung, and prostate cancers. These findings have been corroborated by animal studies, where the compound has shown significant antitumor activity without causing severe side effects. The mechanism of action is thought to involve multiple pathways, including induction of apoptosis and inhibition of angiogenesis.

Beyond its medicinal applications, 2-(2-bromo-4-nitrophenyl)-2-methylpropanenitrile has also found use in materials science. Its unique electronic properties make it suitable for the development of advanced materials such as organic semiconductors and photovoltaic devices. Recent studies have explored its performance in organic field-effect transistors (OFETs) and organic solar cells (OSCs). The presence of the bromo and nitro groups enhances the electron-withdrawing nature of the molecule, which is beneficial for improving charge transport properties and device efficiency.

The environmental impact of 2-(2-bromo-4-nitrophenyl)-2-methylpropanenitrile is another area of active research. While it is not classified as a hazardous substance under current regulations, its potential environmental fate and effects are being studied to ensure its safe use. Preliminary data suggest that it is biodegradable under certain conditions and does not accumulate in aquatic organisms. However, ongoing research is necessary to fully understand its long-term environmental impact.

In conclusion, 2-(2-bromo-4-nitrophenyl)-2-methylpropanenitrile (CAS No. 1067192-68-0) is a multifaceted compound with diverse applications in medicinal chemistry and materials science. Its unique structural features and functional groups contribute to its biological activity and material properties, making it a valuable molecule for further research and development. As new synthetic methods and biological assays continue to advance, the potential uses of this compound are likely to expand, contributing to significant advancements in both scientific research and practical applications.

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