Cas no 912763-28-1 (3-Phenyl-1-tritylpiperazine)

3-Phenyl-1-tritylpiperazine is a specialized piperazine derivative featuring a phenyl group at the 3-position and a trityl (triphenylmethyl) protecting group at the nitrogen-1 position. This compound is particularly valuable in synthetic organic and medicinal chemistry due to the trityl group's ability to protect the nitrogen atom during multi-step reactions, ensuring selective functionalization. The phenyl substituent enhances steric and electronic modulation, making it useful in the development of pharmacologically active molecules. Its stability under various reaction conditions and ease of deprotection further contribute to its utility as an intermediate in the synthesis of complex heterocycles and targeted drug candidates.
3-Phenyl-1-tritylpiperazine structure
3-Phenyl-1-tritylpiperazine structure
Product Name:3-Phenyl-1-tritylpiperazine
CAS No:912763-28-1
MF:C29H28N2
MW:404.546027183533
MDL:MFCD08692541
CID:996180
PubChem ID:16740578
Update Time:2025-08-02

3-Phenyl-1-tritylpiperazine Chemical and Physical Properties

Names and Identifiers

    • 3-PHENYL-1-TRITYL-PIPERAZINE
    • 3-phenyl-1-tritylpiperazine
    • GL-0850
    • MFCD08692541
    • DTXSID50587593
    • 3-Phenyl-1-(triphenylmethyl)piperazine
    • AKOS005254270
    • 912763-28-1
    • 3-Phenyl-1-tritylpiperazine
    • MDL: MFCD08692541
    • Inchi: 1S/C29H28N2/c1-5-13-24(14-6-1)28-23-31(22-21-30-28)29(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28,30H,21-23H2
    • InChI Key: KAYYXDPIMIYMRS-UHFFFAOYSA-N
    • SMILES: N1(CCNC(C2C=CC=CC=2)C1)C(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 404.22500
  • Monoisotopic Mass: 404.225248902g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 5
  • Complexity: 475
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.8
  • Topological Polar Surface Area: 15.3?2

Experimental Properties

  • Density: 1.114
  • Boiling Point: 532.7°C at 760 mmHg
  • Flash Point: 164.3°C
  • Refractive Index: 1.618
  • PSA: 15.27000
  • LogP: 5.89170

3-Phenyl-1-tritylpiperazine Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the 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:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-Phenyl-1-tritylpiperazine Pricemore >>

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Additional information on 3-Phenyl-1-tritylpiperazine

Introduction to 3-Phenyl-1-tritylpiperazine (CAS No. 912763-28-1)

3-Phenyl-1-tritylpiperazine, identified by the Chemical Abstracts Service Number (CAS No.) 912763-28-1, is a significant compound in the realm of pharmaceutical chemistry and medicinal research. This compound belongs to the piperazine class, a heterocyclic amine characterized by a six-membered ring containing one nitrogen atom and two adjacent carbon atoms. The presence of a phenyl group at the 3-position and a trityl (triphenylmethyl) group at the 1-position confers unique chemical and pharmacological properties, making it a subject of considerable interest in drug discovery and development.

The trityl moiety, specifically, introduces steric hindrance and lipophilicity, which can influence the compound's solubility, metabolic stability, and interaction with biological targets. This structural feature is particularly relevant in designing molecules with enhanced pharmacokinetic profiles. In recent years, the exploration of piperazine derivatives has gained momentum due to their versatility in modulating various biological pathways, including neurotransmitter systems and enzyme inhibition.

One of the most compelling aspects of 3-Phenyl-1-tritylpiperazine is its potential as a scaffold for developing novel therapeutic agents. The piperazine core is a well-documented pharmacophore in many drugs used to treat conditions such as depression, schizophrenia, and ADHD. By modifying substituents like the phenyl and trityl groups, researchers can fine-tune the pharmacological activity of the compound. For instance, studies have shown that substituents at the 3-position of piperazine can significantly alter receptor binding affinity and selectivity.

Recent advancements in computational chemistry and high-throughput screening have facilitated the rapid identification of promising candidates like 3-Phenyl-1-tritylpiperazine. These techniques allow for the virtual screening of vast chemical libraries, enabling scientists to predict binding interactions with biological targets with high accuracy. This approach has been instrumental in accelerating drug discovery pipelines, particularly for complex diseases that require highly specific interventions.

The synthesis of 3-Phenyl-1-tritylpiperazine involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. The introduction of the trityl group necessitates careful consideration of reaction pathways to avoid side products that could complicate downstream applications. Modern synthetic methodologies, such as transition metal-catalyzed cross-coupling reactions, have improved the efficiency of these processes, making it feasible to produce complex molecules like this one on a larger scale.

In addition to its pharmaceutical applications, 3-Phenyl-1-tritylpiperazine has been explored for its potential role in biochemical research. Its unique structural features make it an excellent tool for studying enzyme mechanisms and receptor dynamics. For example, researchers have utilized this compound to investigate the binding kinetics of neurotransmitter receptors, providing insights into how these receptors contribute to neurological disorders.

The chemical stability of 3-Phenyl-1-tritylpiperazine is another critical factor that influences its utility in research and development. The trityl group can be susceptible to hydrolysis under certain conditions, which may affect long-term storage and handling. To mitigate this issue, stabilizers or protective groups may be employed during synthesis and purification. Advances in analytical chemistry have also enabled more accurate characterization of this compound using techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry.

The pharmacological profile of 3-Phenyl-1-tritylpiperazine continues to be an area of active investigation. Preclinical studies have suggested that this compound exhibits moderate affinity for certain serotonin receptors, making it a candidate for developing treatments targeting serotonin-related disorders. However, further research is needed to fully elucidate its mechanism of action and potential side effects. Collaborative efforts between academic institutions and pharmaceutical companies are essential to bridge this gap between preclinical findings and clinical applications.

The regulatory landscape surrounding new chemical entities like 3-Phenyl-1-tritylpiperazine is stringent but well-established. Regulatory agencies require comprehensive data on safety, efficacy, and quality before approving a new drug or research chemical for use. This ensures that compounds like this one are thoroughly evaluated before being introduced into therapeutic or scientific contexts. Compliance with Good Manufacturing Practices (GMP) is particularly crucial for ensuring batch-to-batch consistency, which is vital for both research reproducibility and clinical safety.

The future prospects for 3-Phenyl-1-tritylpiperazine are promising given its unique structural features and potential therapeutic applications. As drug discovery technologies continue to evolve, this compound may find new uses in treating previously untreatable conditions or improving existing therapies. Additionally, its role as a biochemical probe could lead to novel insights into fundamental biological processes.

In conclusion,3-Phenyl-1-tritylpiperazine (CAS No. 912763-28-1) represents an intriguing molecule with significant potential in pharmaceutical chemistry and medicinal research. Its structural features offer opportunities for developing novel therapeutics while serving as a valuable tool in biochemical investigations. Continued research into its properties will likely uncover new applications that benefit both science and medicine.

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