Dimethyl fumarate-2,3-d2 | CAS 23057-98-9

OVERVIEW  of  Dimethyl fumarate-2,3-d2 | CAS 23057-98-9

Dimethyl fumarate-2,3-d2 is a selectively deuterated ester derivative of fumaric acid, designed for advanced analytical and research applications requiring isotopic labeling. The substitution of hydrogen with deuterium atoms at the α,β-positions enhances the molecule’s mass while preserving its chemical behavior, allowing for reliable use in analytical calibration, isotope tracing, and reaction mechanism studies.

As a key member of the fumarate family, this compound plays a central role in biochemical research and organic reaction studies. Its structural similarity to endogenous fumarate makes it suitable for use in metabolic and pharmacokinetic experiments. At ResolveMass Laboratories Inc., we ensure that Dimethyl fumarate-2,3-d2 is produced with exceptional isotopic enrichment, purity, and stability, delivering reproducible results across analytical applications.

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CHEMICAL INFORMATION

• Chemical Name: Dimethyl fumarate-2,3-d2

• Synonyms: Fumaric acid dimethyl ester-2,3-d2; DMF-d2; Dimethyl (E)-butenedioate-2,3-d2

• CAS Number: 23057-98-9

• Molecular Formula: C₆H₆D₂O₄

• Molecular Weight: 146.14 g/mol

• Isotopic Enrichment: ≥ 98 atom % D

• Chemical Structure: Deuterium atoms replace the hydrogen atoms at the 2 and 3 carbon positions of the double bond in the fumarate skeleton.

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DESCRIPTION AND PROPERTIES
Dimethyl fumarate-2,3-d2 combines the chemical functionality of an α,β-unsaturated ester with the analytical benefits of deuterium labeling. The deuterium substitution increases molecular mass by two units, creating a distinguishable isotopic profile ideal for use in mass spectrometry and NMR-based studies.

This compound retains the electrophilic character and conjugated double bond of fumarate esters, allowing it to undergo similar reactions, such as Michael additions and transesterifications, while serving as a non-radioactive isotopic tracer. Its stability under analytical conditions and minimal hydrogen–deuterium exchange ensure accurate quantification and reproducible isotopic measurements.

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APPLICATIONS  of  Dimethyl fumarate-2,3-d2 | CAS 23057-98-9

1. Stable Isotope Labeling and Tracing:
   Dimethyl fumarate-2,3-d2 serves as a powerful tool in isotope tracing experiments. Researchers use it to follow reaction pathways, investigate metabolic fluxes, and monitor biochemical conversions of fumarate derivatives with high precision.

2. Pharmaceutical and Biomedical Research:
   In pharmaceutical development, deuterated analogs are valuable for pharmacokinetic and metabolic stability studies. Dimethyl fumarate-2,3-d2 is used as a model compound for understanding the metabolism and bioavailability of fumarate-based drugs, including those related to neurodegenerative and autoimmune disease therapies.

3. Analytical Calibration and Internal Standard:
   The compound functions as a stable isotope-labeled internal standard in GC-MS and LC-MS quantification, offering accurate correction for instrument variability, sample preparation losses, and matrix effects.

4. Kinetic Isotope Effect (KIE) Investigations:
   Due to the stronger C–D bond, Dimethyl fumarate-2,3-d2 is instrumental in kinetic isotope effect studies that probe reaction mechanisms and rate-determining steps. It allows chemists to measure how isotopic substitution affects reaction speed and transition-state dynamics.

5. Environmental and Biochemical Tracing:
   Deuterium-labeled organic acids are non-radioactive and environmentally safe tracers for studying biochemical cycles, pollutant degradation, and chemical transport processes in environmental systems.

6. Spectroscopic Reference Material:
   In NMR spectroscopy, deuterium-labeled fumarates provide reduced proton interference and improved spectral resolution. They are also employed in calibration of deuterium chemical shifts and mass accuracy in analytical systems.

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ANALYTICAL ADVANTAGES

• Excellent isotopic purity ensuring distinct mass spectral signatures

• High stability under analytical conditions and during long-term storage

• Reduced background interference in MS and NMR spectra

• Ideal as an internal standard for accurate quantitation

• Maintains chemical behavior of non-deuterated analogs for comparative studies

• Enables reliable kinetic and mechanistic interpretation in isotope studies

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QUALITY AND MANUFACTURING
At ResolveMass Laboratories Inc., Dimethyl fumarate-2,3-d2 is synthesized using advanced deuteration and purification technologies to achieve superior isotopic enrichment and chemical consistency. Each production batch is subjected to comprehensive quality control assessments, including GC-MS, NMR spectroscopy, and elemental analysis, to verify structure, purity, and isotopic labeling.

Our manufacturing protocols adhere to internationally recognized analytical standards, ensuring product reliability, traceability, and reproducibility. ResolveMass Laboratories is committed to delivering high-purity isotope-labeled compounds for use in pharmaceutical research, academic laboratories, and industrial analytical facilities worldwide.

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CONCLUSION
Dimethyl fumarate-2,3-d2 is a versatile and reliable deuterated compound that serves as a cornerstone material for isotope labeling, metabolic tracking, and analytical standardization. Its high isotopic enrichment, chemical stability, and consistent analytical performance make it invaluable for scientists conducting precision studies in chemistry, biochemistry, and pharmaceutical science. Backed by the technical expertise of ResolveMass Laboratories Inc., this compound ensures dependable results in both research and industrial settings where isotopic accuracy is critical.

 

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