Cas no 193220-16-5 (3-(4-methylphenyl)methylpyrrolidine)

3-(4-Methylphenyl)methylpyrrolidine is a pyrrolidine derivative featuring a 4-methylbenzyl substituent, which enhances its potential as an intermediate in organic synthesis and pharmaceutical applications. The compound’s structural framework offers versatility for further functionalization, making it valuable in the development of bioactive molecules or ligands for catalysis. Its aromatic methyl group may improve stability and influence binding interactions in medicinal chemistry contexts. The pyrrolidine core contributes to conformational rigidity, which can be advantageous in designing compounds with targeted pharmacological properties. This product is suitable for research applications requiring precise modification of nitrogen-containing heterocycles, particularly in drug discovery and material science.
3-(4-methylphenyl)methylpyrrolidine structure
193220-16-5 structure
Product Name:3-(4-methylphenyl)methylpyrrolidine
CAS No:193220-16-5
MF:C12H17N
MW:175.270083189011
CID:890796
PubChem ID:3690078
Update Time:2026-04-29

3-(4-methylphenyl)methylpyrrolidine Chemical and Physical Properties

Names and Identifiers

    • 3-(4-methylbenzyl)pyrrolidine
    • 3-[(4-methylphenyl)methyl]Pyrrolidine
    • AC1MVWJG
    • AG-E-41175
    • BB 0260254
    • CTK4E1199
    • SureCN1814200
    • 3-[(4-METHYLPHENYL)METHYL]-PYRROLIDINE
    • 3-[(4-Methylphenyl)methyl]-pyrrolidine HCl
    • 3-(4-methylphenyl)methylpyrrolidine
    • Inchi: 1S/C12H17N/c1-10-2-4-11(5-3-10)8-12-6-7-13-9-12/h2-5,12-13H,6-9H2,1H3
    • InChI Key: PLXKQUZKRRYQGR-UHFFFAOYSA-N
    • SMILES: N1([H])C([H])([H])C([H])([H])C([H])(C([H])([H])C2C([H])=C([H])C(C([H])([H])[H])=C([H])C=2[H])C1([H])[H]

Computed Properties

  • Exact Mass: 175.13600
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 147
  • XLogP3: 2.5
  • Topological Polar Surface Area: 12

Experimental Properties

  • PSA: 12.03000
  • LogP: 2.47580

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Additional information on 3-(4-methylphenyl)methylpyrrolidine

Professional Introduction to Compound with CAS No. 193220-16-5 and Product Name: 3-(4-methylphenyl)methylpyrrolidine

3-(4-methylphenyl)methylpyrrolidine, identified by the chemical abstracts service number CAS No. 193220-16-5, is a compound of significant interest in the field of pharmaceutical chemistry and medicinal biology. This compound belongs to the class of pyrrolidine derivatives, which have garnered considerable attention due to their diverse pharmacological properties and potential applications in drug development. The structural motif of this molecule, featuring a 4-methylphenyl (tolyl) group attached to a pyrrolidine ring via a methylpyrrolidine linkage, contributes to its unique chemical and biological characteristics.

The synthesis of 3-(4-methylphenyl)methylpyrrolidine involves multi-step organic transformations that highlight the versatility of modern synthetic methodologies. The introduction of the pyrrolidine ring into the molecular framework is typically achieved through cyclization reactions, often employing palladium-catalyzed cross-coupling techniques or nucleophilic substitution strategies. These synthetic approaches not only ensure high yield and purity but also allow for modifications at various positions within the molecule, enabling the exploration of structural analogs with tailored biological activities.

In recent years, there has been growing interest in pyrrolidine derivatives as pharmacophores due to their ability to modulate various biological targets. The presence of the aromatic 4-methylphenyl group enhances lipophilicity, which is a critical factor in drug absorption, distribution, metabolism, and excretion (ADME) profiles. Additionally, the pyrrolidine core is known to interact with biological macromolecules such as enzymes and receptors, making it a valuable scaffold for designing novel therapeutic agents.

One of the most compelling aspects of 3-(4-methylphenyl)methylpyrrolidine is its potential as an intermediate in the synthesis of more complex drug candidates. Researchers have leveraged this compound to develop molecules with targeted therapeutic effects in areas such as central nervous system (CNS) disorders, inflammation, and metabolic diseases. For instance, studies have demonstrated that derivatives of this compound exhibit inhibitory activity against certain enzymes implicated in neurodegenerative diseases, suggesting its utility in developing treatments for conditions like Alzheimer's and Parkinson's.

The pharmacological evaluation of 3-(4-methylphenyl)methylpyrrolidine has revealed intriguing interactions with biological pathways relevant to human health and disease. Preclinical studies have shown that this compound can modulate neurotransmitter systems by binding to specific receptors or by influencing the activity of key enzymes. These findings have prompted further investigation into its potential as a lead compound or as a building block for more sophisticated drug molecules.

Advances in computational chemistry and molecular modeling have accelerated the discovery process for compounds like 3-(4-methylphenyl)methylpyrrolidine. By integrating experimental data with predictive modeling techniques, researchers can rapidly screen large libraries of compounds for promising candidates before undertaking costly wet-lab synthesis. This approach has significantly reduced the time required to identify novel drug-like molecules and has improved the efficiency of drug development pipelines.

The role of 3-(4-methylphenyl)methylpyrrolidine in medicinal chemistry extends beyond its use as an intermediate; it also serves as a benchmark for understanding structure-activity relationships (SAR) within the pyrrolidine class. By systematically varying substituents on the aromatic ring or the pyrrolidine core, scientists can gain insights into how different structural features influence biological activity. Such SAR studies are crucial for optimizing drug candidates and improving their therapeutic efficacy while minimizing side effects.

Recent breakthroughs in synthetic methodologies have further enhanced the accessibility of complex pyrrolidine derivatives like 3-(4-methylphenyl)methylpyrrolidine. Techniques such as flow chemistry and continuous manufacturing have enabled scalable production processes that are more sustainable and cost-effective compared to traditional batch methods. These innovations are particularly important for bringing new drugs to market efficiently while adhering to stringent regulatory standards.

The future prospects for 3-(4-methylphenyl)methylpyrrolidine are promising, with ongoing research exploring its potential applications in emerging therapeutic areas. As our understanding of disease mechanisms evolves, so too does our ability to design molecules that target these processes with high precision. By combining traditional organic synthesis with cutting-edge biotechnological approaches, scientists are poised to unlock new therapeutic possibilities using compounds like this one.

In conclusion,3-(4-methylphenyl)methylpyrrolidine (CAS No. 193220-16-5) represents a significant advancement in pharmaceutical chemistry and medicinal biology. Its unique structural features make it a versatile building block for drug development, with potential applications across multiple therapeutic domains. As research continues to uncover new biological targets and synthetic strategies,this compound is likely to remain at the forefront of innovation in drug discovery and development.

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