Piperazine-d8-N-t-BOC | CAS 1126621-86-0

OVERVIEW  of  Piperazine-d8-N-t-BOC | CAS 1126621-86-0

Piperazine-d8-N-t-BOC (CAS 1126621-86-0) is a fully deuterated, tert-butyloxycarbonyl (Boc)-protected derivative of piperazine. In this compound, all eight hydrogen atoms on the piperazine ring are replaced by deuterium, providing exceptional isotopic purity for NMR, LC–MS, and synthetic applications. The Boc protection of one nitrogen atom makes it a versatile intermediate for peptide coupling, pharmaceutical synthesis, and isotopic labeling studies, allowing selective reactivity at the unprotected nitrogen. Its stable, fully deuterated backbone makes it a reliable reagent for mechanistic, tracer, and analytical chemistry research.

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CHEMICAL INFORMATION

• Name: Piperazine-d8-N-t-BOC

• Molecular Formula: C₉H₁₄D₈N₂O₂

• Molecular Weight: 194.19 g/mol

• CAS Number: 1126621-86-0

• Isotopic Labeling: Eight deuterium atoms (D₈) on the piperazine ring

• Chemical Class: Deuterated cyclic diamine; Boc-protected amine

• Stability: Chemically and thermally stable; moisture-sensitive

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APPLICATIONS  of  Piperazine-d8-N-t-BOC | CAS 1126621-86-0

• Pharmaceutical and Medicinal Chemistry:
  Used as a key intermediate in the synthesis of deuterium-labeled pharmaceutical compounds, particularly those containing piperazine or secondary amine structures.

• Peptide and Organic Synthesis:
  The Boc-protected form enables controlled mono-functionalization at the unprotected nitrogen, making it ideal for amide bond formation, linker synthesis, and derivatization.

• Mass Spectrometry (MS) and NMR Studies:
  Serves as an internal standard and isotope-labeled reference compound, providing accurate mass differentiation and background-free spectra.

• Tracer and Mechanistic Research:
  Useful in deuterium tracer experiments to study reaction kinetics, metabolic transformations, and hydrogen–deuterium exchange processes.

• Material Science and Analytical Chemistry:
  Employed in developing reference standards and calibration controls for analytical validation of deuterated amine-based compounds.

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ADVANTAGES  of  Piperazine-d8-N-t-BOC | CAS 1126621-86-0

• Fully deuterated structure (≥ 98 atom % D) ensures high isotopic enrichment.

• Boc protection provides selectivity during multi-step synthetic reactions.

• Reduces proton interference in ¹H NMR and enhances analytical clarity.

• Chemically stable and compatible with standard synthetic reagents.

• Safe, non-radioactive alternative to tritium labeling.

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HANDLING, STORAGE & SAFETY

• Handling: Use under inert atmosphere when possible to prevent hydrolysis of the Boc group.

• Storage: Store sealed in a cool (2–8 °C), dry environment away from acids and moisture.

• Safety: Low acute toxicity; may cause mild irritation upon contact with skin or eyes. Use gloves and eye protection when handling.

• Disposal: Dispose of according to local and institutional chemical waste protocols.

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QUALITY & SPECIFICATION

• Chemical Purity: ≥ 98 %

• Isotopic Enrichment: ≥ 98 atom % D

• Analytical Verification: Confirmed via ¹H NMR (absence of proton signals), ²H NMR, and LC–MS

• Documentation: Certificate of Analysis (CoA) provided for each production lot

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SUMMARY
Piperazine-d8-N-t-BOC (CAS 1126621-86-0) is a fully deuterated, Boc-protected cyclic diamine widely utilized in synthetic, analytical, and pharmaceutical research. Its dual characteristics of high deuterium incorporation and selective amine protection make it an ideal reagent for labeling studies, isotope calibration, and controlled amine modification. The compound’s high chemical stability, excellent isotopic purity, and structural compatibility with biological and synthetic frameworks ensure consistent performance in mass spectrometric quantification, mechanistic research, and isotopic labeling applications.

 

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