Deuterated Benzyl acrylate-d3 | CAS 2495-35-4

OVERVIEW

Deuterated Benzyl acrylate-d3 | CAS 2495-35-4 is a selectively deuterated acrylate monomer widely used in polymer chemistry, mechanistic reaction tracking, metabolic studies, and advanced materials characterization. Its structure incorporates three deuterium atoms typically located on the benzyl methylene group, providing a robust isotopic label without altering the compound’s fundamental reactivity profile.

For researchers working in polymer science, surface engineering, NMR spectroscopy, and isotopic tracing, Deuterated Benzyl Acrylate-d3 offers a reliable, isotopically enriched analogue that behaves similarly to its non-deuterated counterpart while enabling precise spectroscopic differentiation. ResolveMass Laboratories Inc. supports high-purity, research-grade deuterated monomers tailored for demanding synthetic and analytical workflows across academia, biotechnology, and advanced materials R&D.

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CHEMICAL INFORMATION

Chemical Name: Deuterated Benzyl Acrylate-d3
CAS Number: 2495-35-4
Molecular Formula: C10H7D3O2
Molecular Weight: ~166.21 g/mol
Isotopic Enrichment: Typically ≥98% D
Chemical Class: Deuterated acrylate monomer / isotopically labeled aromatic ester
Functional Groups:

• Acrylate unsaturated ester (polymerizable)

• Benzyl ester moiety

• Deuterium-substituted benzylic position

The presence of deuterium (²H) atoms introduces subtle but important spectroscopic differences without significantly affecting chemical reactivity. This balance makes Benzyl Acrylate-d3 an excellent isotopically labeled tool for kinetic isotope studies and polymer mechanism elucidation.

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STRUCTURAL AND SPECTROSCOPIC FEATURES

The benzyl-d3 isotopic substitution provides enhanced utility in ¹H NMR signal suppression, ²H NMR tracing, and mass spectrometric differentiation. Common benefits include:

• Reduced proton background in aromatic methylene regions

• Clean ²H NMR peaks for positional monitoring

• Distinct 3 Da mass shift, enabling precise MS-based quantification

• Enhanced clarity in copolymer composition analysis

• Useful for following ester cleavage, migration, or transesterification pathways

These features make the compound valuable for mechanistic polymer chemistry, degradation studies, and analytical method validation.

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APPLICATIONS of Deuterated Benzyl acrylate-d3 | CAS 2495-35-4

1. Polymer Science & Materials Development

Deuterated Benzyl Acrylate-d3 is commonly used to synthesize:

• Block, random, and graft copolymers

• Surface-functionalized materials

• Cross-linked acrylate networks

• Model polymers for diffusion and degradation studies

Because the acrylate group polymerizes readily via free-radical, controlled radical, and photopolymerization mechanisms, researchers can incorporate it into complex architectures (RAFT, ATRP, NMP, photoinitiated systems) while maintaining isotopic labeling for analytical visibility.

It is often used as a “spectroscopic tag” monomer—allowing scientists to monitor polymer chain mobility, conversion rates, and segmental behavior through NMR or neutron scattering techniques.

2. NMR, MS, and Isotopic Labeling Studies

The compound is widely used as an internal standard or tracer in:

• Deuterium NMR kinetic studies

• MS fragmentation pathway elucidation

• Isotope-dilution quantification

• Structure–property investigations of polymers

• Reaction pathway tracing in esterification, transesterification, and hydrolysis reactions

Its clean deuterium incorporation helps differentiate overlapping signals and follow reaction intermediates that would be challenging to observe with protonated analogs.

3. Mechanistic Investigations & Kinetic Isotope Effect (KIE) Studies

The deuterated benzylic position allows researchers to examine:

• Competitive kinetic isotope effects

• Benzylic hydrogen transfer processes

• Rate-determining steps in radical or ionic polymerizations

• Ester cleavage kinetics in catalytic systems

Such investigations help improve catalyst design, polymerization control, and reaction pathway prediction.

4. Surface Modification and Thin-Film Analysis

Due to its aromatic ester structure, Benzyl Acrylate-d3 can be integrated into surface coatings, photopatterned films, and model surfaces used for:

• Neutron reflectometry

• Depth-profiling of polymer films

• Surface mobility studies

• Segmental orientation analysis

The presence of deuterium enhances contrast in neutron-based measurements, making it extremely useful for multilayer and nanoscale structural characterization.

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BENEFITS FOR RESEARCHERS

• High isotopic purity ensures accurate tracing and spectroscopy

• Compatible with all major polymerization techniques

• Stable monomer structure suitable for multi-step synthesis

• Improved signal separation in analytical workflows

• Ideal for mechanistic and structural investigations

ResolveMass Laboratories Inc. provides deuterated monomers produced with strict QC measures, ensuring low residual solvents, precise isotopic incorporation, and batch-to-batch consistency essential for reproducible research.

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CONTACT OUR TECHNICAL TEAM

For spectroscopy guidance, polymerization recommendations, COAs, or custom deuteration requests, please reach out to our scientific support team:
ResolveMass Laboratories Inc. – Technical Support
Our specialists can assist with selection, method integration, and advanced applications related to isotopically labeled monomers.

 

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