Description

1-Bromo-2,2-Dimethylpropane-1,1-D2 is a deuterated analog of neopentyl bromide, serving as a valuable labeled building block in synthetic organic chemistry. This compound is specifically engineered to provide a stable deuterium isotope for mechanistic studies and the synthesis of deuterated target molecules. It is essential for researchers and process chemists in the pharmaceutical, agrochemical, and advanced materials sectors who require high-purity, isotopically labeled intermediates for applications in drug discovery, metabolic research, and NMR spectroscopy.

Application

• Deuterated Pharmaceutical Intermediate: Used in the synthesis of active pharmaceutical ingredients (APIs) for drug discovery and development, particularly in metabolism and pharmacokinetic (DMPK) studies.
• Mechanistic Probe: Acts as a tracer in reaction mechanism elucidation and kinetic isotope effect (KIE) studies due to the incorporated deuterium atoms.
• NMR Spectroscopy Standard: Serves as an internal standard or a starting material for preparing deuterated solvents and shift reagents for nuclear magnetic resonance (NMR) analysis.
• Agrochemical Research: Employed in the development of labeled pesticides and herbicides to study environmental fate, degradation pathways, and residue analysis.
• Material Science: Utilized in the synthesis of specialty polymers and organic electronic materials where deuterium substitution can modify physical properties like stability and charge transport.
• Academic & Industrial R&D: A key reagent for organic synthesis in research laboratories focusing on novel C-C and C-X bond-forming reactions.

Basic Information

Product Name	1-Bromo-2,2-Dimethylpropane-1,1-D2
CAS No.	38581-03-2
Molecular Formula	C5H9D2Br
Molecular Weight	165.04 g/mol (approx.)
Synonyms	Neopentyl-1,1-d2 Bromide; (2,2-Dimethylpropyl-1,1-d2) Bromide; 1-Bromo-2,2-dimethylpropane-1,1-dideuterio; tert-Butyl-d2 Methyl Bromide; Deuterated Neopentyl Bromide; 2,2-Dimethyl-1-bromopropane-1,1-D2
EINECS	Contact for details

Quality Control

Our 1-Bromo-2,2-Dimethylpropane-1,1-D2 is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including NMR (¹H, ¹³C) and GC/MS, to confirm chemical identity, isotopic purity (D-enrichment), and chemical purity. Certificates of Analysis (COA) detailing all specifications are provided and can be tailored to meet specific client requirements for research or cGMP applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, well-ventilated place at room temperature (15-25°C). Due to its highly volatile nature, ensure containers are kept tightly sealed and upright to prevent leakage and concentration loss. Keep away from heat, sparks, and open flame.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (NMR)	Conforms to structure
Purity (GC)	≥ 97.0%
Isotopic Purity (D-enrichment)	≥ 98 atom % D
Water Content (KF)	≤ 0.1%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.