Cas no 1038315-36-4 (N4-(4-methylphenyl)pyridine-3,4-diamine)

N4-(4-methylphenyl)pyridine-3,4-diamine is a heterocyclic aromatic compound featuring both pyridine and aniline functional groups. This intermediate is notable for its role in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty dyes. Its molecular structure, incorporating a 4-methylphenyl substituent, enhances its reactivity in electrophilic substitution and coupling reactions. The compound exhibits good thermal stability and solubility in common organic solvents, facilitating its use in multi-step synthetic processes. Its well-defined purity and consistent performance make it a reliable choice for research and industrial applications requiring precise functionalization of pyridine derivatives.
N4-(4-methylphenyl)pyridine-3,4-diamine structure
1038315-36-4 structure
Product Name:N4-(4-methylphenyl)pyridine-3,4-diamine
CAS No:1038315-36-4
MF:C12H13N3
MW:199.251722097397
CID:2117064
PubChem ID:29067452
Update Time:2025-06-30

N4-(4-methylphenyl)pyridine-3,4-diamine Chemical and Physical Properties

Names and Identifiers

    • N4-(4-methylphenyl)-3,4-Pyridinediamine
    • 3-amino-4-(4-methylphenyl)aminopyridine
    • 4-N-(4-methylphenyl)pyridine-3,4-diamine
    • N4-(4-methylphenyl)pyridine-3,4-diamine
    • N4-p-Tolylpyridine-3,4-diamine
    • SBB079851
    • NE41622
    • (3-amino(4-pyridyl))(4-methylphenyl)amine
    • Z1741785968
    • Inchi: 1S/C12H13N3/c1-9-2-4-10(5-3-9)15-12-6-7-14-8-11(12)13/h2-8H,13H2,1H3,(H,14,15)
    • InChI Key: NTNIVUMTQZQDMU-UHFFFAOYSA-N
    • SMILES: N(C1C=CN=CC=1N)C1C=CC(C)=CC=1

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 187
  • Topological Polar Surface Area: 50.9

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Additional information on N4-(4-methylphenyl)pyridine-3,4-diamine

Introduction to N4-(4-methylphenyl)pyridine-3,4-diamine (CAS No. 1038315-36-4)

N4-(4-methylphenyl)pyridine-3,4-diamine, a compound with the chemical identifier CAS No. 1038315-36-4, is a significant molecule in the field of pharmaceutical chemistry and has garnered considerable attention due to its unique structural and functional properties. This compound belongs to the class of pyridine derivatives, which are widely recognized for their diverse biological activities and potential applications in drug development.

The molecular structure of N4-(4-methylphenyl)pyridine-3,4-diamine consists of a pyridine core substituted with an amine group at the 3-position and another amine group at the 4-position, coupled with a 4-methylphenyl (tolyl) group at the N4 position. This specific arrangement of functional groups imparts distinct chemical reactivity and biological interactions, making it a valuable candidate for further exploration in medicinal chemistry.

Recent research in the field of pharmaceutical sciences has highlighted the importance of pyridine derivatives in the development of novel therapeutic agents. The presence of multiple amine functionalities in N4-(4-methylphenyl)pyridine-3,4-diamine suggests its potential as a building block for more complex molecules with enhanced pharmacological properties. Studies have shown that such compounds can exhibit inhibitory effects on various enzymatic targets, which are crucial for treating a range of diseases.

In particular, the interaction between N4-(4-methylphenyl)pyridine-3,4-diamine and biological targets has been extensively studied. The amine groups at the 3 and 4 positions of the pyridine ring can form hydrogen bonds with polar residues in protein active sites, while the 4-methylphenyl group can engage in hydrophobic interactions. This dual mode of interaction enhances the binding affinity and selectivity of the compound towards its target enzymes.

One of the most promising applications of N4-(4-methylphenyl)pyridine-3,4-diamine is in the development of inhibitors for enzymes involved in metabolic pathways associated with inflammation and oxidative stress. For instance, studies have demonstrated that derivatives of this compound can inhibit the activity of lipoxygenase and cyclooxygenase enzymes, which are key players in inflammatory responses. By modulating these enzymatic activities, N4-(4-methylphenyl)pyridine-3,4-diamine and its analogs hold promise for treating chronic inflammatory diseases such as rheumatoid arthritis and atherosclerosis.

The synthesis of N4-(4-methylphenyl)pyridine-3,4-diamine involves multi-step organic reactions that require careful optimization to achieve high yields and purity. Common synthetic routes include condensation reactions between appropriate precursors followed by functional group modifications. Advanced techniques such as catalytic hydrogenation and palladium-catalyzed cross-coupling reactions have been employed to improve the efficiency and scalability of production.

The pharmacokinetic properties of N4-(4-methylphenyl)pyridine-3,4-diamine are also an area of active investigation. Understanding how this compound is absorbed, distributed, metabolized, and excreted (ADME) is crucial for determining its therapeutic potential and safety profile. Preclinical studies have provided insights into its bioavailability and metabolic pathways, which are essential for optimizing dosing regimens and minimizing side effects.

In conclusion, N4-(4-methylphenyl)pyridine-3,4-diamine (CAS No. 1038315-36-4) is a versatile compound with significant potential in pharmaceutical research and drug development. Its unique structural features and biological activities make it an attractive candidate for further exploration. As research continues to uncover new applications and optimize synthetic methodologies, this compound is poised to play a crucial role in addressing unmet medical needs.

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