Cas no 58202-84-9 (N-(3-Cyanophenyl)acetamide)

N-(3-Cyanophenyl)acetamide is a versatile organic compound featuring both cyano and acetamide functional groups, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. Its structure allows for further functionalization, enabling applications in the development of active ingredients and specialty chemicals. The compound exhibits good stability under standard conditions, ensuring reliable handling and storage. Its high purity and consistent quality make it suitable for research and industrial-scale processes. The presence of the cyano group enhances reactivity, facilitating nucleophilic substitution and other key transformations. This compound is particularly useful in heterocyclic chemistry and as a precursor for more complex molecules.
N-(3-Cyanophenyl)acetamide structure
N-(3-Cyanophenyl)acetamide structure
Product Name:N-(3-Cyanophenyl)acetamide
CAS No:58202-84-9
MF:C9H8N2O
MW:160.17262172699
CID:342832
PubChem ID:737204
Update Time:2025-06-09

N-(3-Cyanophenyl)acetamide Chemical and Physical Properties

Names and Identifiers

    • N-(3-Cyanophenyl)acetamide
    • Acetamide, N-(3-cyanophenyl)-
    • 3-acetamidobenzonitrile
    • 3-acetylamidobenzonitrile
    • 3-Acetylamino-benzonitril
    • 3-acetylamino-benzonitrile
    • 3'-Cyanoacetanilide
    • acetamide,N-(3-cyanophenyl)
    • Essigsaeure-(3-cyan-anilid)
    • N-(3-cyanophenyl)-acetamide
    • SCHEMBL171190
    • Oprea1_133349
    • PS-4627
    • 58202-84-9
    • 3-Acetaminobenzonitril
    • AQ-012/40250408
    • F81656
    • MFCD01047361
    • KXBIARKNAZXRGC-UHFFFAOYSA-N
    • AKOS000182292
    • CS-0206331
    • EN300-39643
    • Z26548069
    • FT-0705294
    • DTXSID30353197
    • MDL: MFCD01047361
    • Inchi: 1S/C9H8N2O/c1-7(12)11-9-4-2-3-8(5-9)6-10/h2-5H,1H3,(H,11,12)
    • InChI Key: KXBIARKNAZXRGC-UHFFFAOYSA-N
    • SMILES: O=C(C)NC1C=CC=C(C#N)C=1

Computed Properties

  • Exact Mass: 160.06400
  • Monoisotopic Mass: 160.063662883g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 216
  • 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: 1.2
  • Topological Polar Surface Area: 52.9?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Melting Point: 133-135 °C
  • Boiling Point: 364.3±25.0 °C at 760 mmHg
  • Flash Point: 174.1±23.2 °C
  • Refractive Index: 1.557
  • PSA: 52.89000
  • LogP: 1.58968
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

N-(3-Cyanophenyl)acetamide Security Information

N-(3-Cyanophenyl)acetamide Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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N-(3-Cyanophenyl)acetamide Related Literature

Additional information on N-(3-Cyanophenyl)acetamide

Professional Introduction to N-(3-Cyanophenyl)acetamide (CAS No. 58202-84-9)

N-(3-cyanophenyl)acetamide, with the chemical identifier CAS No. 58202-84-9, is a significant compound in the field of pharmaceutical chemistry and bioorganic synthesis. This compound has garnered attention due to its versatile applications in medicinal chemistry, particularly in the development of novel therapeutic agents. The structural motif of this molecule, featuring a cyanophenyl group attached to an acetamide moiety, makes it a valuable scaffold for designing molecules with specific biological activities.

The cyanophenyl group, characterized by its electron-withdrawing nature, contributes to the overall electronic properties of the molecule. This feature is particularly useful in modulating the reactivity and binding affinity of the compound towards biological targets. In recent years, there has been a growing interest in leveraging such structural features for the development of drugs that target neurological disorders, inflammatory conditions, and other complex diseases.

N-(3-cyanophenyl)acetamide has been extensively studied in the context of its potential as an intermediate in the synthesis of more complex pharmacophores. The acetamide group provides a polar and hydrogen-bonding capable moiety, which is essential for interactions with biological macromolecules such as proteins and enzymes. This combination of structural features makes it an attractive candidate for further derivatization and optimization.

Recent advancements in computational chemistry have enabled researchers to predict the biological activity of N-(3-cyanophenyl)acetamide with greater precision. Molecular modeling studies have suggested that this compound may exhibit inhibitory effects on certain enzymes implicated in disease pathways. For instance, preliminary computational analyses have indicated potential interactions with cytochrome P450 enzymes, which are crucial in drug metabolism and detoxification processes.

In addition to its theoretical potential, experimental studies have begun to explore the pharmacological properties of N-(3-cyanophenyl)acetamide. Researchers have synthesized various derivatives of this compound and evaluated their efficacy in vitro. These studies have revealed promising results regarding its ability to modulate enzyme activity and cellular responses. Notably, some derivatives have shown significant inhibitory effects on kinases, which are overactive in many cancerous conditions.

The synthesis of N-(3-cyanophenyl)acetamide involves well-established organic chemistry techniques, including nucleophilic substitution reactions and condensation processes. The availability of high-quality starting materials and advanced synthetic methodologies has facilitated efficient production scales suitable for both academic research and industrial applications. The compound's stability under various storage conditions further enhances its utility as a building block in pharmaceutical research.

The growing body of evidence supporting the biological relevance of N-(3-cyanophenyl)acetamide has prompted further investigation into its potential therapeutic applications. Researchers are currently exploring its role in developing treatments for neurodegenerative diseases, where modulation of protein aggregation and oxidative stress are key therapeutic targets. Additionally, its structural features make it a candidate for designing anti-inflammatory agents that target cytokine pathways.

As our understanding of molecular interactions continues to evolve, compounds like N-(3-cyanophenyl)acetamide will play an increasingly important role in drug discovery and development. The integration of traditional organic synthesis with modern biotechnological approaches ensures that such compounds can be rapidly translated from laboratory research to clinical applications. This synergy between chemistry and biology underscores the importance of interdisciplinary collaboration in advancing pharmaceutical sciences.

The future prospects for N-(3-cyanophenyl)acetamide are promising, with ongoing research aimed at expanding its chemical space and exploring new biological functions. Innovations in synthetic chemistry will continue to provide access to novel derivatives with enhanced properties. Furthermore, advances in high-throughput screening technologies will enable faster identification of lead compounds derived from this scaffold.

In conclusion, N-(3-cyanophenyl)acetamide (CAS No. 58202-84-9) represents a compelling example of how structural innovation can drive therapeutic discovery. Its unique combination of chemical features positions it as a valuable asset in the pharmaceutical industry's quest for new treatments. As research progresses, this compound is poised to contribute significantly to our understanding of disease mechanisms and the development of effective therapeutic strategies.

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