Deuterated Methyl-d3 acrylate | CAS 51391-19-6

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Catalogue number: RM-D-268
Synonyms: Methyl Acrylate-d₃;Acrylic Acid Methyl Ester-d₃;Methyl-2-propenoate-d₃;2-Propenoic Acid Methyl Ester-d₃;Acrylate-d₃ Methyl Ester;Methyl Acrylylate-d₃;Methyl 2-propenoate-d₃ (Deuterated)
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SKU: RM-D-268 Category: Deuterated Chemicals

Description
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OVERVIEW

Deuterated Methyl-d3 acrylate | CAS 51391-19-6 is a selectively deuterated ester widely used across advanced research domains including polymer science, reaction mechanism elucidation, kinetic isotope studies, and NMR/IR spectroscopy. Its heavy-isotope labeling (three deuterium atoms replacing the methyl protons) provides enhanced analytical resolution and enables precise tracking of reaction pathways that involve ester functionalities and acrylate polymerization behavior.

At ResolveMass Laboratories Inc., Deuterated Methyl-d₃ Acrylate is supplied at high isotopic enrichment and chemical purity suitable for demanding R&D, synthetic chemistry, and materials science applications. Researchers depend on this compound when accurate isotopic tracing, controlled polymerization profiling, or advanced labeling strategies are required to obtain reproducible, publication-grade or GMP-compatible analytical data.

CHEMICAL INFORMATION

Chemical Name: Methyl-d₃ Acrylate
CAS Number: 51391-19-6
Molecular Formula: C₄D₃H₃O₂
Molecular Weight: 89.11 g/mol
Isotopic Labeling: Three deuterium atoms located at the methyl group
Structure: Acrylate ester containing a deuterated methyl group attached to the ester oxygen
Functionality: α,β-unsaturated ester; reactive toward radical polymerization and Michael addition

The presence of deuterium instead of hydrogen significantly alters vibrational frequencies and NMR characteristics, allowing the compound to serve as a clear isotopic marker in complex reaction mixtures or polymeric systems.

KEY FEATURES

High Isotopic Purity (d₃-labeled):
The deuterated methyl group provides a distinct signature in proton-decoupled NMR, enabling accurate quantification, kinetic monitoring, and structural tracking of acrylate involvement.
Stable and Versatile Reactive Handle:
The α,β-unsaturated acrylate moiety remains fully reactive toward radical polymerization and nucleophilic addition while preserving the deuterium label under typical synthetic conditions.
Optimized for Spectroscopy:
Deuterium substitution alters chemical shift patterns and IR vibrations, improving resolution in reaction monitoring, mechanistic characterization, and isotope-sensitive analytical workflows.
Compatible with Polymer Synthesis:
Ideal for preparing deuterated or partially deuterated polymers used in scattering studies, diffusion characterization, and microstructure analysis.

APPLICATIONS of Deuterated Methyl-d3 acrylate | CAS 51391-19-6

1. Mechanistic & Kinetic Isotope Studies

Deuterated Methyl-d₃ Acrylate is frequently used to explore:

Reaction kinetics influenced by isotope substitution
Transition-state behavior in acrylate ester reactions
Polymerization rate effects under radical or controlled radical polymerization (CRP) conditions

The kinetic isotope effect (KIE) associated with deuterium permits fine-tuned mechanistic interpretation, allowing chemists to identify rate-determining steps and validate catalytic pathways.

2. NMR & IR Spectroscopy

Because deuterium has distinct magnetic and vibrational properties compared to protium, it substantially enhances interpretability of:

¹H NMR: Reduced proton signals improve spectral clarity
²H NMR: Direct observation of the labeled methyl group
FTIR: Shifts in C–D stretching vibrations provide a robust analytical fingerprint

These spectroscopic advantages make Deuterated Methyl-d₃ Acrylate indispensable for isotope labeling experiments and for studying subtle transformations within acrylate systems.

3. Polymer Science & Materials Research

In polymer chemistry, this compound is used to:

Produce deuterated homopolymers and copolymers
Track polymerization kinetics in ATRP, RAFT, and anionic polymerization
Study polymer chain mobility, degradation profiles, and diffusion behavior using neutron scattering or contrast-matching techniques

The ability to selectively incorporate deuterium into polymer backbones or side chains enables advanced characterization not possible with unlabeled monomers.

4. Mass Spectrometry & Reaction Tracking

Deuterated Methyl-d₃ Acrylate offers predictable mass shifts that make it suitable for:

MS-based quantification
Internal standards in synthetic workflows
Differentiating between reaction intermediates or polymer end-groups

This isotopic pattern assists researchers in identifying mechanistic pathways, verifying labeling efficiency, and assessing impurity profiles with high confidence.

TECHNICAL ADVANTAGES FOR RESEARCH & INDUSTRY

Enhanced Analytical Precision: Deuterium labeling reduces spectral overlap and improves detectability of acrylate-based intermediates.
Reliable Reproducibility: High chemical and isotopic purity leads to consistent results across batches and analytical methods.
Broad Synthetic Compatibility: Suitable for radical, photochemical, and controlled/living polymerization systems.
Ideal for Academic & Industrial R&D: Widely used in specialty chemicals, pharmaceutical research, polymer development, and isotopic tracer studies.

WHY CHOOSE RESOLVEMASS LABORATORIES INC.

ResolveMass Laboratories Inc. specializes in high-quality deuterated reagents tailored for advanced research applications. Our Deuterated Methyl-d₃ Acrylate is manufactured and quality-tested to meet rigorous analytical and performance standards. We support researchers in academic laboratories, chemical development groups, and pharmaceutical R&D teams who require: