Cas no 1208542-95-3 (2-Amino-3-(4-Boc-piperazin-1-yl)pyrazine)

2-Amino-3-(4-Boc-piperazin-1-yl)pyrazine is a heterocyclic compound featuring a pyrazine core substituted with an amino group and a Boc-protected piperazine moiety. This structure makes it a valuable intermediate in pharmaceutical synthesis, particularly for the development of bioactive molecules and drug candidates. The Boc (tert-butoxycarbonyl) group provides stability and selective deprotection capabilities, facilitating further functionalization. Its pyrazine scaffold contributes to diverse reactivity, enabling applications in medicinal chemistry and ligand design. The compound is typically used in controlled environments due to its sensitivity, requiring proper handling under inert conditions. Its well-defined synthetic route and purity make it a reliable building block for research and industrial applications.
2-Amino-3-(4-Boc-piperazin-1-yl)pyrazine structure
1208542-95-3 structure
Product Name:2-Amino-3-(4-Boc-piperazin-1-yl)pyrazine
CAS No:1208542-95-3
MF:C13H21N5O2
MW:279.338142156601
MDL:MFCD11040180
CID:1056032
PubChem ID:45789606
Update Time:2025-05-24

2-Amino-3-(4-Boc-piperazin-1-yl)pyrazine Chemical and Physical Properties

Names and Identifiers

    • 2-Amino-3-(4-Boc-piperazin-1-yl)pyrazine
    • tert-Butyl 4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate
    • CS-0136800
    • 1208542-95-3
    • A892023
    • MFCD11040180
    • tert-butyl4-(3-aminopyrazin-2-yl)piperazine-1-carboxylate
    • AKOS015855021
    • DS-0404
    • DB-292616
    • DTXSID20671892
    • MDL: MFCD11040180
    • Inchi: 1S/C13H21N5O2/c1-13(2,3)20-12(19)18-8-6-17(7-9-18)11-10(14)15-4-5-16-11/h4-5H,6-9H2,1-3H3,(H2,14,15)
    • InChI Key: TVVMFRXXKIFECN-UHFFFAOYSA-N
    • SMILES: O(C(N1CCN(C2C(N)=NC=CN=2)CC1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 279.17000
  • Monoisotopic Mass: 279.16952493g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 336
  • 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: 0.6
  • Topological Polar Surface Area: 84.6?2

Experimental Properties

  • PSA: 84.58000
  • LogP: 1.70000

2-Amino-3-(4-Boc-piperazin-1-yl)pyrazine Security Information

  • Hazard Statement: H315-H319-H335
  • Storage Condition:Keep in dark place,Inert atmosphere,2-8°C

2-Amino-3-(4-Boc-piperazin-1-yl)pyrazine Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Additional information on 2-Amino-3-(4-Boc-piperazin-1-yl)pyrazine

Comprehensive Overview of 2-Amino-3-(4-Boc-piperazin-1-yl)pyrazine (CAS No. 1208542-95-3)

2-Amino-3-(4-Boc-piperazin-1-yl)pyrazine (CAS No. 1208542-95-3) is a high-value pharmaceutical intermediate widely used in drug discovery and medicinal chemistry. This compound features a unique pyrazine core coupled with a Boc-protected piperazine moiety, making it a versatile building block for designing bioactive molecules. Researchers and pharmaceutical companies frequently search for Boc-protected heterocycles and amino-pyrazine derivatives due to their applications in kinase inhibitors and GPCR-targeted therapies.

The growing demand for small molecule therapeutics has increased interest in CAS 1208542-95-3, particularly in oncology and CNS drug development. Recent studies highlight its role in optimizing drug-like properties such as solubility and metabolic stability. Common search queries like "Boc-piperazine pyrazine synthesis" or "2-Amino-3-(4-Boc-piperazin-1-yl)pyrazine applications" reflect its relevance in modern medicinal chemistry workflows.

From a synthetic perspective, 2-Amino-3-(4-Boc-piperazin-1-yl)pyrazine exemplifies the strategic use of protecting groups in multi-step organic synthesis. The tert-butoxycarbonyl (Boc) group ensures selective reactivity during molecular assembly, addressing frequent researcher questions about amine protection-deprotection strategies. Its crystallinity and stability under various conditions make it preferable for high-throughput screening libraries.

Innovative applications of this compound extend to bioconjugation and PROTAC technology, where its secondary amine functionality serves as a linkage point. The pharmaceutical industry's focus on targeted protein degradation has amplified searches for piperazine-containing degraders, positioning CAS 1208542-95-3 as a critical scaffold. Analytical data shows consistent interest in HPLC purity methods and storage conditions for this hygroscopic compound.

Environmental and regulatory considerations drive optimization of green chemistry approaches for manufacturing 2-Amino-3-(4-Boc-piperazin-1-yl)pyrazine. Trends indicate rising searches for solvent-free synthesis and catalytic amination methods. The compound's structure-activity relationship (SAR) potential continues to attract computational chemists investigating molecular docking simulations with various biological targets.

Quality control protocols for CAS 1208542-95-3 emphasize NMR characterization and mass spectrometry verification, addressing frequent buyer concerns about isomeric purity. The market has seen increased procurement for custom fluorinated analogs, reflecting the compound's adaptability in PET tracer development. These developments align with industry priorities around theranostic agents and personalized medicine.

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