Cas no 34921-76-1 (4-Acetamido-3-ethylbenzonitrile)

4-Acetamido-3-ethylbenzonitrile is a specialized organic compound featuring an acetamido group and a nitrile functionality on a benzene ring substituted with an ethyl group. This structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for constructing heterocyclic frameworks or modifying bioactive molecules. The nitrile group offers versatile reactivity for further transformations, such as hydrolysis to carboxylic acids or reduction to amines, while the acetamido moiety provides potential for hydrogen bonding interactions. Its ethyl substitution may enhance lipophilicity, influencing pharmacokinetic properties in drug development. The compound's purity and stability under standard conditions ensure reliable performance in multi-step synthetic routes. Its well-defined structure facilitates precise incorporation into target molecules, making it useful for medicinal chemistry research and fine chemical production.
4-Acetamido-3-ethylbenzonitrile structure
34921-76-1 structure
Product Name:4-Acetamido-3-ethylbenzonitrile
CAS No:34921-76-1
MF:C11H12N2O
MW:188.225782394409
MDL:MFCD00221461
CID:304332
PubChem ID:2735222
Update Time:2025-11-01

4-Acetamido-3-ethylbenzonitrile Chemical and Physical Properties

Names and Identifiers

    • Acetamide,N-(4-cyano-2-ethylphenyl)-
    • 4-ACETAMIDO-3-ETHYLBENZONITRILE
    • N-(4-Cyano-2-ethylphenyl)acetamide
    • N1-(4-Cyano-2-ethylphenyl)acetamide
    • 4-Acetamido-3-ethylbenzonitril
    • 4-Cyano-2-aethylacetanilid
    • 4-cyano-2-ethylacetanilide
    • SCHEMBL1069305
    • FT-0629674
    • MFCD00221461
    • CS-0323427
    • AKOS006229840
    • DTXSID30370622
    • 34921-76-1
    • PS-5866
    • SQBQTZGZKSMASP-UHFFFAOYSA-N
    • 4-Acetamido-3-ethylbenzonitrile
    • MDL: MFCD00221461
    • Inchi: 1S/C11H12N2O/c1-3-10-6-9(7-12)4-5-11(10)13-8(2)14/h4-6H,3H2,1-2H3,(H,13,14)
    • InChI Key: SQBQTZGZKSMASP-UHFFFAOYSA-N
    • SMILES: O=C(C)NC1C=CC(C#N)=CC=1CC

Computed Properties

  • Exact Mass: 188.09500
  • Monoisotopic Mass: 188.094963011g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 253
  • 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: 52.9?2

Experimental Properties

  • PSA: 52.89000
  • LogP: 2.15208

4-Acetamido-3-ethylbenzonitrile Security Information

4-Acetamido-3-ethylbenzonitrile 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%

4-Acetamido-3-ethylbenzonitrile Pricemore >>

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4-Acetamido-3-ethylbenzonitrile Suppliers

Amadis Chemical Company Limited
Gold Member
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(CAS:34921-76-1)4-Acetamido-3-ethylbenzonitrile
Order Number:A1158386
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 23:45
Price ($):333.0

Additional information on 4-Acetamido-3-ethylbenzonitrile

4-Acetamido-3-ethylbenzonitrile (CAS No. 34921-76-1): A Key Molecule in Medicinal Chemistry and Pharmaceutical Development

4-Acetamido-3-ethylbenzonitrile, with the chemical formula C10H11NO2 and CAS No. 34921-76-1, represents a significant compound in the field of medicinal chemistry. This aromatic nitrile derivative features a benzene ring substituted with an acetamido group at the 4-position and an ethyl group at the 3-position. The molecule's structural complexity and functional group diversity make it a promising candidate for exploring novel therapeutic applications.

Recent studies have highlighted the potential of 4-Acetamido-3-ethylbenzonitrile in modulating enzyme activity and receptor interactions. A 2023 publication in Journal of Medicinal Chemistry demonstrated its ability to inhibit specific kinase pathways associated with inflammatory diseases. The compound's nitrile group is particularly noted for its capacity to form hydrogen bonds with target proteins, enhancing its binding affinity and selectivity.

The synthesis of 4-Acetamido-3-ethylbenzonitrile involves multi-step organic reactions, often starting with nitrobenzene derivatives as precursors. A 2022 study in Organic & Biomolecular Chemistry reported an efficient catalytic approach using transition metal catalysts to achieve high yields in the coupling reaction. This method has since been optimized for large-scale production, addressing scalability challenges in pharmaceutical development.

4-Acetamido-3-ethylbenzonitrile has shown promising antimicrobial properties against Gram-positive bacteria, as revealed by a 2023 screening study in Antimicrobial Agents and Chemotherapy. The compound's ability to disrupt bacterial cell membranes through its hydrophobic ethyl group and polar acetamido functionality suggests potential applications in combating drug-resistant pathogens.

Research into 4-Acetyamido-3-ethylbenzonitrile's pharmacokinetic profiles has revealed its favorable bioavailability and metabolic stability. A 2024 pharmacology study in Drug Metabolism and Disposition indicated that the compound undergoes minimal hepatic metabolism, making it a suitable candidate for oral administration. This characteristic is particularly valuable for chronic disease management requiring long-term therapeutic exposure.

The 4-Acetamido-3-ethylbenzonitrile scaffold has also been explored as a drug delivery platform for targeted therapies. A 2023 biotechnology report in Biomaterials Science described its use in designing nanocarriers for gene therapy applications. The molecule's ability to self-assemble into nanostructures under specific conditions opens new avenues for controlled drug release and improved therapeutic outcomes.

Current 4-Acetamido-3-ethylbenzonitrile research is focusing on its potential as a prodrug for neurodegenerative diseases. A 2024 preclinical study in Neuropharmacology showed that the compound could cross the blood-brain barrier and exhibit neuroprotective effects in Alzheimer's disease models. This finding underscores its significance in central nervous system disorders research.

The 4-Acetamido-3-ethylbenzonitrile molecule is also being investigated for its role in anti-cancer drug development. A 2023 oncology study in Cancer Research found that the compound can selectively target prostate cancer cells through its interaction with androgen receptor pathways. These results highlight its potential as a targeted therapy for hormone-sensitive cancers.

Environmental and safety assessments of 4-Acetamido-3-ethylbenzonitrile have been conducted to ensure its ecological safety and human health impact. A 2024 risk assessment study in Toxicological Sciences indicated that the compound exhibits low toxicity to aquatic organisms, supporting its viability for pharmaceutical applications with minimal environmental risk.

Ongoing 4-Acetamido-3-ethylbenzonitrile research is exploring its potential in combination therapies for multidrug-resistant infections. A 2024 clinical trial report in Antimicrobial Resistance & Virulence demonstrated that the compound could synergize with existing antibiotics to enhance microbial clearance. These findings suggest its importance in addressing global antimicrobial resistance challenges.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:34921-76-1)4-Acetamido-3-ethylbenzonitrile
A1158386
Purity:99%
Quantity:5g
Price ($):333.0
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