2-Bromoethyl-d4-amine HBr | CAS 918633-70-2

OVERVIEW
2-Bromoethyl-d₄-amine hydrobromide is a deuterium-labeled analog of 2-bromoethylamine hydrobromide, a key intermediate used in organic synthesis and isotopic labeling chemistry. In this compound, four hydrogen atoms in the ethyl chain are replaced by deuterium, resulting in a +4 Da increase in molecular mass while maintaining the same molecular structure and reactivity as the non-deuterated compound.

As a stable isotope-labeled compound, 2-bromoethyl-d₄-amine HBr is particularly valuable for use in tracer studies, mechanistic research, and the synthesis of deuterium-enriched biomolecules and pharmaceuticals. It serves as a reactive alkylating agent for introducing deuterated ethylamine groups into organic molecules, making it a crucial reagent in medicinal and analytical chemistry.

CHEMICAL INFORMATION

• Name: 2-Bromoethyl-d₄-amine hydrobromide

• Molecular Formula: C₂H₂D₄Br₂N

• Molecular Weight: 209.91 g/mol

• CAS Number: 918633-70-2

• Isotopic Enrichment: ≥ 98 atom % D

• Chemical Class: Deuterated alkyl halide amine salt; stable isotope-labeled compound

• Stability: Stable at room temperature; decomposes slowly under high humidity or heat

APPLICATIONS of 2-Bromoethyl-d4-amine HBr | CAS 918633-70-2

• Precursor for Deuterated Compounds:
  2-Bromoethyl-d₄-amine HBr is an essential building block in the synthesis of deuterium-labeled analogs of biologically active compounds. It is widely used for preparing deuterated amines, amino acids, and heterocyclic intermediates.

• Stable Isotope Tracer Studies:
  Employed in isotopic tracer research to study reaction mechanisms, metabolic pathways, and chemical kinetics involving alkylation and amination reactions.

• Analytical Chemistry and Mass Spectrometry (MS):
  Acts as a reference or internal standard in mass spectrometric analysis due to its distinct isotopic signature (+4 Da shift), enabling precise quantification of related amines and brominated compounds.

• Pharmaceutical Research:
  Used in the preparation of labeled drug analogs for metabolic profiling, pharmacokinetic studies, and drug–receptor interaction evaluations. Its deuterium content aids in improving metabolic stability and differentiating synthetic pathways.

• NMR Spectroscopy Studies:
  Serves as a deuterated compound for studying isotopic effects, deuterium exchange behavior, and hydrogen bonding characteristics using NMR spectroscopy.

ADVANTAGES  of  2-Bromoethyl-d4-amine HBr | CAS 918633-70-2

• Selectively and completely deuterated (4D) ethyl group ensures precise isotopic labeling

• Retains identical reactivity to native 2-bromoethylamine HBr, enabling direct substitution in synthetic protocols

• High isotopic and chemical purity ensures consistent and reproducible results

• Non-radioactive, stable isotope label suitable for long-term research and analytical use

• Ideal for use in both small-scale laboratory studies and industrial isotope-labeled synthesis

HANDLING

• Hazards: Irritant; may cause burns to skin, eyes, and mucous membranes upon contact; harmful if inhaled or ingested.

• Precautions: Handle in a fume hood with adequate ventilation. Use appropriate personal protective equipment (PPE) including gloves, goggles, and lab coat. Avoid contact with strong oxidizers or bases.

• Storage: Keep container tightly sealed and stored in a cool, dry place under an inert atmosphere. Protect from moisture and heat.

• Spill and Disposal: In case of spills, absorb with inert material (e.g., vermiculite) and dispose of in accordance with local regulations.

Safety Note: Although non-flammable, the compound is corrosive and should be handled carefully to avoid chemical burns or inhalation exposure.

QUALITY & SPECIFICATION

• Chemical Purity: ≥ 98 %

• Isotopic Enrichment: ≥ 98 atom % D

• Water Content: ≤ 0.05 %

• Analytical Verification: Characterized by ¹H NMR, ²H NMR, IR spectroscopy, and LC-MS to confirm isotopic incorporation and purity

• Appearance: White to off-white crystalline solid

• COA Availability: Supplied with a Certificate of Analysis for each batch verifying isotopic enrichment and chemical purity

SUMMARY
2-Bromoethyl-d₄-amine hydrobromide (CAS 918633-70-2) is a high-purity, stable isotope-labeled reagent widely used in isotopic synthesis, tracer studies, and analytical chemistry. Its selective deuterium incorporation enables precise mechanistic and kinetic investigations, while its robust chemical stability ensures safe and reliable handling in laboratory environments. This compound serves as a versatile intermediate for preparing deuterated biomolecules and advanced materials, making it indispensable in modern isotope chemistry and pharmaceutical research.