Cas no 780705-64-8 (1-N-Boc-4-pyriMidin-2-yl-piperazine)

1-N-Boc-4-pyrimidin-2-yl-piperazine is a protected heterocyclic compound featuring a pyrimidine moiety linked to a piperazine ring, with a Boc (tert-butoxycarbonyl) group serving as a protective amine functionality. This intermediate is particularly valuable in medicinal chemistry and pharmaceutical synthesis, where it facilitates the controlled introduction of pyrimidine-piperazine scaffolds into target molecules. The Boc group enhances stability during synthetic manipulations while allowing selective deprotection under mild acidic conditions. Its structural versatility makes it suitable for constructing biologically active compounds, including kinase inhibitors and receptor modulators. The compound’s well-defined reactivity and compatibility with diverse reaction conditions underscore its utility in complex multi-step syntheses.
1-N-Boc-4-pyriMidin-2-yl-piperazine structure
780705-64-8 structure
Product Name:1-N-Boc-4-pyriMidin-2-yl-piperazine
CAS No:780705-64-8
MF:C13H20N4O2
MW:264.323502540588
MDL:MFCD12068359
CID:1004837
PubChem ID:11975637
Update Time:2025-05-25

1-N-Boc-4-pyriMidin-2-yl-piperazine Chemical and Physical Properties

Names and Identifiers

    • 1-N-Boc-4-pyriMidin-2-yl-piperazine
    • tert-butyl 4-(pyrimidin-2-yl)piperazine-1-carboxylate
    • tert-butyl 4-pyrimidin-2-ylpiperazine-1-carboxylate
    • 1-piperazinecarboxylic acid 4-(2-pyrimidinyl)-, 1,1-dimethylethyl ester
    • A-2326
    • AGN-PC-00J2V5
    • KB-128793
    • KB-243119
    • tert-butyl 4-(2-pyrimidinyl)-1-piperazinecarboxylate
    • AKOS009103791
    • CS-0171800
    • tert-Butyl 4-(2-pyrimidinyl)-1-piperazine carboxylate
    • tert-Butyl4-(pyrimidin-2-yl)piperazine-1-carboxylate
    • AS-31395
    • A917861
    • 4-pyrimidin-2-yl-piperazine-1-carboxylic acid tert-butyl ester
    • SCHEMBL12964579
    • YEEDHQBGXCVRDP-UHFFFAOYSA-N
    • 780705-64-8
    • MFCD12068359
    • DTXSID60475013
    • 1-Boc-4-(pyrimidin-2-yl)piperazine
    • 2-Methyl-2-propanyl 4-(2-pyrimidinyl)-1-piperazinecarboxylate
    • DB-335704
    • MDL: MFCD12068359
    • Inchi: 1S/C13H20N4O2/c1-13(2,3)19-12(18)17-9-7-16(8-10-17)11-14-5-4-6-15-11/h4-6H,7-10H2,1-3H3
    • InChI Key: YEEDHQBGXCVRDP-UHFFFAOYSA-N
    • SMILES: O(C(N1CCN(C2N=CC=CN=2)CC1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 264.15862589g/mol
  • Monoisotopic Mass: 264.15862589g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 302
  • 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: 58.6?2

1-N-Boc-4-pyriMidin-2-yl-piperazine Security Information

1-N-Boc-4-pyriMidin-2-yl-piperazine Pricemore >>

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Additional information on 1-N-Boc-4-pyriMidin-2-yl-piperazine

Professional Introduction to Compound with CAS No. 780705-64-8 and Product Name: 1-N-Boc-4-pyriMidin-2-yl-piperazine

1-N-Boc-4-pyriMidin-2-yl-piperazine is a highly specialized chemical compound that has garnered significant attention in the field of pharmaceutical research and development. This compound, identified by the CAS number 780705-64-8, represents a critical intermediate in the synthesis of various bioactive molecules. Its unique structural features, combining a piperazine ring with a pyrimidine moiety, make it a valuable building block for designing novel therapeutic agents. The Boc (tert-butoxycarbonyl) group attached to the nitrogen atom of the piperazine ring enhances its stability and reactivity, making it particularly useful in multi-step synthetic pathways.

The significance of 1-N-Boc-4-pyriMidin-2-yl-piperazine lies in its versatility as a precursor for developing drugs targeting a wide range of diseases. Recent advancements in medicinal chemistry have highlighted its potential in the design of small-molecule inhibitors for enzymes and receptors involved in metabolic disorders, neurodegenerative diseases, and cancer. The pyrimidine ring, a common pharmacophore in many drugs, contributes to the compound's ability to interact with biological targets with high specificity. This interaction is crucial for achieving the desired therapeutic effects while minimizing side reactions.

In the context of drug discovery, 1-N-Boc-4-pyriMidin-2-yl-piperazine has been utilized in the development of compounds that modulate enzyme activity. For instance, researchers have explored its derivatives as potential inhibitors of kinases and phosphodiesterases, which play key roles in cellular signaling pathways. The Boc group on the piperazine ring provides a handle for further functionalization, allowing chemists to introduce additional substituents that enhance binding affinity and selectivity. Such modifications are essential for optimizing drug candidates for clinical trials.

Recent studies have also demonstrated the utility of 1-N-Boc-4-pyriMidin-2-yl-piperazine in the synthesis of compounds with anti-inflammatory properties. The piperazine scaffold is known to exhibit immunomodulatory effects, making it an attractive scaffold for designing drugs that target inflammatory pathways. By incorporating this moiety into larger molecules, researchers have been able to develop novel anti-inflammatory agents that show promise in preclinical models. These findings underscore the importance of 1-N-Boc-4-pyriMidin-2-yl-piperazine as a key intermediate in pharmaceutical innovation.

The compound's structural features also make it suitable for applications in materials science and industrial chemistry. Its ability to form stable complexes with other molecules has led to its use in catalysis and as a ligand in coordination chemistry. Furthermore, its compatibility with various synthetic methodologies makes it a preferred choice for chemists working on complex molecular architectures. This adaptability ensures that 1-N-Boc-4-pyriMidin-2-yl-piperazine remains relevant across multiple disciplines within the chemical industry.

From a regulatory perspective, the synthesis and handling of 1-N-Boc-4-pyriMidin-2-yl-piperazine must adhere to stringent quality control measures to ensure safety and efficacy. Manufacturers must comply with Good Manufacturing Practices (GMP) to guarantee that the final product meets the required specifications for pharmaceutical use. Additionally, researchers must conduct thorough toxicological studies to assess potential hazards associated with the compound. These efforts are critical for ensuring that 1-N-Boc-4-pyriMidin-2-yl-piperazine can be safely integrated into drug development pipelines.

The future prospects of 1-N-Boc-4-pyriMidin-2-yl-piperazine are promising, given its broad applicability and growing body of research supporting its use. As drug discovery continues to evolve, this compound is likely to play an increasingly important role in developing next-generation therapeutics. Collaborative efforts between academia and industry will be essential for maximizing its potential and translating laboratory findings into clinical applications. By leveraging cutting-edge synthetic techniques and computational methods, researchers can further explore the diverse applications of 1-N-Boc-4-pyriMidin-2-yl-piperazine.

In conclusion, 1-N-Boc-4-pyriMidin-2-yl-piperazine (CAS No. 780705-64-8) is a versatile and valuable compound with significant implications for pharmaceutical research and industrial chemistry. Its unique structural properties enable its use as a key intermediate in drug development, particularly for targeting metabolic disorders, neurodegenerative diseases, and cancer. As research progresses, this compound is expected to continue playing a pivotal role in advancing therapeutic innovation across multiple medical fields.

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