Ethylene-d4-diamine-1-N-tBoc | CAS 509148-73-6

OVERVIEW  of  Ethylene-d4-diamine-1-N-tBoc | CAS 509148-73-6
Ethylene-d4-diamine-1-N-tBoc (CAS 509148-73-6) is a partially deuterated, N-protected ethylenediamine derivative, where four hydrogen atoms are replaced by deuterium, and one amino group is protected with a tert-butyloxycarbonyl (Boc) group. This compound is primarily used as a stable isotope-labeled intermediate in organic synthesis, peptide coupling reactions, and metabolic tracer studies. The presence of the Boc protecting group ensures selective reactivity, making it a valuable building block in deuterium labeling chemistry, pharmaceutical synthesis, and mechanistic investigations involving amine-functionalized molecules.

CHEMICAL INFORMATION

• Name: Ethylenediamine-1-N-tBoc-d4

• Molecular Formula: C₆H₁₄D₄N₂O₂

• Molecular Weight: 166.26 g/mol

• CAS Number: 509148-73-6

• Isotopic Labeling: Four deuterium atoms (D₄) on the ethylene backbone

• Chemical Class: Deuterated amine; isotope-labeled protecting group reagent

• Stability: Stable under ambient conditions; moisture-sensitive

APPLICATIONS  of  Ethylene-d4-diamine-1-N-tBoc | CAS 509148-73-6

• Organic and Medicinal Chemistry:
  Serves as a deuterium-labeled intermediate for synthesis of isotopically labeled pharmaceuticals, peptides, and amine-functionalized bioactive molecules.

• Peptide Synthesis:
  Utilized as a Boc-protected linker or amine precursor in peptide coupling and modification processes, ensuring controlled reactivity and high selectivity.

• Mass Spectrometry (MS):
  Acts as a stable isotope internal standard for quantifying diamine derivatives and studying reaction kinetics.

• NMR Spectroscopy:
  The deuterium labeling reduces proton background signals, improving spectral resolution in both ¹H and ¹³C NMR analyses.

• Metabolic Tracer Studies:
  Used to monitor amine-based metabolic transformations, including enzymatic reactions involving primary amines.

• Pharmaceutical Development:
  Incorporated into drug metabolism studies, mechanistic investigations, and synthesis of labeled analogs for pharmacokinetic profiling.

ADVANTAGES  of  Ethylene-d4-diamine-1-N-tBoc | CAS 509148-73-6

• High isotopic enrichment (≥ 98 atom % D) for accurate analytical use.

• Boc protection provides selective amine availability during multistep synthesis.

• Chemically stable and compatible with standard peptide and organic synthesis conditions.

• Ideal for isotopic labeling in small-molecule and peptide chemistry.

• Enables clear, interference-free NMR and MS spectra.

HANDLING, STORAGE & SAFETY

• Handling: Use in a dry, inert atmosphere to avoid hydrolysis of the Boc group.

• Storage: Keep tightly sealed under nitrogen or argon at 2–8 °C.

• Safety: May cause mild irritation to skin or eyes; handle with appropriate gloves and goggles.

• Disposal: Dispose of according to institutional and regulatory chemical waste guidelines.

QUALITY & SPECIFICATION

• Chemical Purity: ≥ 98 %

• Isotopic Enrichment: ≥ 98 atom % D

• Analytical Verification: Confirmed by ¹H NMR, ²H NMR, and MS

• Physical State: Liquid or low-melting solid

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

SUMMARY
Ethylene-d4-diamine-1-N-tBoc (CAS 509148-73-6) is a Boc-protected, deuterium-labeled amine intermediate widely used in synthetic organic and pharmaceutical research. Its combination of isotopic labeling and functional protection allows for precise control in multi-step reactions, facilitating accurate mechanistic, kinetic, and metabolic studies. With excellent chemical stability and isotopic integrity, this compound is an essential tool in advanced isotopic labeling and analytical chemistry applications.