Cas no 50351-72-9 (2-(Benzylamino)nicotinonitrile)

2-(Benzylamino)nicotinonitrile is a versatile chemical intermediate featuring a benzylamino substituent on a nicotinonitrile scaffold. Its structure enables applications in pharmaceutical and agrochemical synthesis, particularly as a precursor for heterocyclic compounds. The compound's nitrile group offers reactivity for further functionalization, while the benzyl moiety enhances solubility and stability in organic solvents. Its pyridine core contributes to coordination properties, making it useful in ligand design for catalysis. This compound is valued for its synthetic flexibility, enabling the construction of complex molecular architectures with potential biological activity. Proper handling under inert conditions is recommended due to its sensitivity to moisture and oxidation.
2-(Benzylamino)nicotinonitrile structure
50351-72-9 structure
Product Name:2-(Benzylamino)nicotinonitrile
CAS No:50351-72-9
MF:C13H11N3
MW:209.246542215347
MDL:MFCD09455270
CID:857786
PubChem ID:562158
Update Time:2025-06-10

2-(Benzylamino)nicotinonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(Benzylamino)nicotinonitrile
    • 2-(benzylamino)pyridine-3-carbonitrile
    • 2-Benzylaminonicotinonitrile
    • STK501323
    • MFCD09455270
    • LS-01749
    • DTXSID80340158
    • SCHEMBL3288539
    • ALBB-004812
    • CS-0205348
    • J-506232
    • Z31197149
    • 50351-72-9
    • AKOS000171683
    • MDL: MFCD09455270
    • Inchi: 1S/C13H11N3/c14-9-12-7-4-8-15-13(12)16-10-11-5-2-1-3-6-11/h1-8H,10H2,(H,15,16)
    • InChI Key: GSDQHSDPGWFMHN-UHFFFAOYSA-N
    • SMILES: N(C1C(C#N)=CC=CN=1)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 209.09500
  • Monoisotopic Mass: 209.095297364g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 249
  • 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: 2.9
  • Topological Polar Surface Area: 48.7?2

Experimental Properties

  • PSA: 48.71000
  • LogP: 2.63838

2-(Benzylamino)nicotinonitrile Security Information

  • Hazardous Material Identification: Xi
  • HazardClass:IRRITANT

2-(Benzylamino)nicotinonitrile Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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2-(Benzylamino)nicotinonitrile Production Method

2-(Benzylamino)nicotinonitrile Suppliers

Amadis Chemical Company Limited
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(CAS:50351-72-9)2-(Benzylamino)nicotinonitrile
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Quantity:5g/25g/100g/10g/50g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 09:29
Price ($):686.0/1760.0/2069.0/951.0/3300.0

2-(Benzylamino)nicotinonitrile Related Literature

Additional information on 2-(Benzylamino)nicotinonitrile

Introduction to 2-(Benzylamino)nicotinonitrile (CAS No. 50351-72-9)

2-(Benzylamino)nicotinonitrile, identified by the chemical compound code CAS No. 50351-72-9, is a specialized organic molecule that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound, featuring a nitrile group and a benzylamino substituent, exhibits unique structural and functional properties that make it a valuable intermediate in the synthesis of various bioactive molecules. The benzylamino moiety, in particular, introduces a polar and relatively hydrophobic character, which can influence its solubility and interaction with biological targets. The nitrile group, on the other hand, serves as a versatile handle for further chemical modifications, enabling the construction of more complex structures through reactions such as hydrolysis or reduction.

The synthesis of 2-(Benzylamino)nicotinonitrile typically involves multi-step organic transformations, starting from readily available precursors. One common synthetic route involves the nucleophilic substitution of a halogenated nicotinonitrile derivative with benzylamine, where the choice of solvent and reaction conditions plays a crucial role in optimizing yield and purity. Advanced techniques such as palladium-catalyzed cross-coupling reactions have also been explored to enhance the efficiency of the synthesis, particularly in cases where traditional methods may suffer from poor regioselectivity or low yields.

In recent years, 2-(Benzylamino)nicotinonitrile has been studied for its potential applications in drug discovery and development. Its structural framework suggests compatibility with various biological pathways, making it a promising scaffold for designing novel therapeutic agents. For instance, derivatives of this compound have been investigated for their antimicrobial properties, with some studies indicating activity against Gram-negative bacteria through mechanisms involving disruption of bacterial cell wall synthesis. Additionally, the benzylamino group provides a site for attachment to pharmacophores that can enhance binding affinity to specific protein targets.

One particularly intriguing aspect of 2-(Benzylamino)nicotinonitrile is its role in the development of kinase inhibitors. Kinases are enzymes that play critical roles in cell signaling pathways and are often implicated in diseases such as cancer and inflammatory disorders. By modifying the core structure of 2-(Benzylamino)nicotinonitrile, researchers have synthesized compounds that exhibit potent inhibitory effects on specific kinases. These inhibitors have shown promise in preclinical studies, demonstrating selectivity over closely related enzymes and minimal off-target effects. The nitrile group in these derivatives can be further functionalized to improve solubility and pharmacokinetic properties, making them more suitable for clinical development.

The pharmaceutical industry has also explored 2-(Benzylamino)nicotinonitrile as a building block for antiviral agents. Viruses rely on host cellular machinery for replication, and targeting viral enzymes or proteins can disrupt their life cycle. Researchers have designed analogs of 2-(Benzylamino)nicotinonitrile that inhibit viral proteases or polymerases, effectively blocking viral replication. Some of these compounds have demonstrated efficacy against RNA viruses, including those responsible for certain types of hepatitis and influenza. The ability to fine-tune the structure of these derivatives allows for the optimization of antiviral activity while minimizing toxicity.

Beyond its pharmaceutical applications, 2-(Benzylamino)nicotinonitrile has found utility in materials science and agrochemical research. Its unique electronic properties make it a candidate for use in organic semiconductors and light-emitting diodes (OLEDs). In agrochemicals, derivatives of this compound have been investigated for their potential as herbicides or fungicides, offering new solutions to crop protection challenges. The versatility of 2-(Benzylamino)nicotinonitrile lies in its ability to undergo diverse chemical transformations, allowing chemists to tailor its properties for specific applications.

The latest research trends indicate that 2-(Benzylamino)nicotinonitrile is being increasingly used in combination therapies to enhance therapeutic outcomes. By pairing this compound with other bioactive molecules, researchers aim to achieve synergistic effects that improve treatment efficacy while reducing side effects. For example, studies have shown that combining kinase inhibitors derived from 2-(Benzylamino)nicotinonitrile with chemotherapy agents can lead to more effective cancer treatments. This approach leverages the complementary mechanisms of action of different drugs to overcome drug resistance and improve patient outcomes.

Advances in computational chemistry have also played a significant role in the study of 2-(Benzylamino)nicotinonitrile. Molecular modeling techniques allow researchers to predict the behavior of this compound in various environments, including its interactions with biological targets. These simulations help guide experimental design by identifying potential binding sites and optimizing drug-like properties such as solubility and metabolic stability. The integration of experimental data with computational predictions has accelerated the discovery process significantly.

In conclusion,2-(Benzylamino)nicotinonitrile (CAS No. 50351-72-9) is a versatile compound with broad applications across multiple scientific disciplines. Its unique structural features make it an invaluable tool for synthesizing novel bioactive molecules with potential therapeutic benefits. As research continues to uncover new applications and refine synthetic methodologies,2-(Benzylamino)nicotinonitrile is poised to remain at the forefront of chemical innovation.

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Amadis Chemical Company Limited
(CAS:50351-72-9)2-(Benzylamino)nicotinonitrile
A871594
Purity:99%/99%/99%/99%/99%
Quantity:5g/25g/100g/10g/50g
Price ($):686.0/1760.0/2069.0/951.0/3300.0
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