Description

2,2,5-Trimethyl-1,3-Dioxane-5-Carboxylic Acid Methyl Ester-D3 is a deuterated derivative of a 1,3-dioxane ester, serving as a crucial stable isotope-labeled intermediate for advanced chemical synthesis. This compound matters for its role in enabling precise analytical and metabolic studies, providing a non-radioactive tracer with minimal isotopic interference. It is primarily needed by research and development teams in the pharmaceutical, agrochemical, and material science industries for applications in drug discovery, mechanism elucidation, and the development of novel deuterated active ingredients.

Application

• Pharmaceutical Research: As a stable isotope-labeled (SIL) building block for the synthesis of deuterated drug candidates and metabolites in pharmacokinetic (PK) and pharmacodynamic (PD) studies.
• Analytical Chemistry: Use as an internal standard in quantitative mass spectrometry (LC-MS, GC-MS) for accurate bioanalysis and impurity profiling.
• Agrochemical Development: Intermediate in the synthesis of deuterated pesticides or herbicides to study environmental fate, metabolism, and degradation pathways.
• Material Science: Precursor for specialty polymers or coatings where deuterium incorporation is used to modify physical properties or for neutron scattering studies.
• Metabolic Pathway Tracing: A tracer compound in biochemical research to investigate metabolic fluxes and enzymatic mechanisms without significant kinetic isotope effects.
• Chemical Synthesis: Versatile chiral synthon for constructing complex molecules, leveraging the 1,3-dioxane moiety as a protecting group or directing group.

Basic Information

Product Name	2,2,5-Trimethyl-1,3-Dioxane-5-Carboxylic Acid Methyl Ester-D3
CAS No.	1189460-82-9
Molecular Formula	C10H15D3O4
Molecular Weight	205.26 g/mol (approx.)
Synonyms	Methyl 2,2,5-trimethyl-1,3-dioxane-5-carboxylate-d3; Methyl 5-carboxy-2,2,5-trimethyl-1,3-dioxane-d3; 1,3-Dioxane-5-carboxylic acid, 2,2,5-trimethyl-, methyl ester-d3; Deuterated TM-DOC Methyl Ester; (5-Methoxycarbonyl-2,2,5-trimethyl-1,3-dioxane)-d3; Trimethyl-dioxane carboxylate methyl ester-d3; TM-DOC-Me-d3
EINECS	Contact for details

Quality Control

Our deuterated chemicals are produced under strict quality control protocols to ensure high isotopic purity and chemical integrity, essential for research reproducibility. Each batch is characterized by advanced spectroscopic and chromatographic methods. Certificates of Analysis (COA) are provided, detailing parameters such as chemical purity, isotopic enrichment (D-atom %), and identity confirmation. We support compliance with relevant research and development standards.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). This compound may be hygroscopic (moisture-sensitive); ensure the container is sealed under an inert atmosphere if specified.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Isotopic Purity (D-content)	≥ 98.0 atom % D
Water Content (KF)	≤ 0.5%

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