Description

2-tert-Butyl-5-Methyl-1,3-Dioxane-5-Carboxylic Acid Vinyl Ester-D3 is a deuterated vinyl ester derivative, a high-value specialty chemical designed for advanced research and development. This compound is critical for applications requiring precise isotopic labeling, offering enhanced stability and unique metabolic properties for analytical studies. It is primarily utilized by researchers and manufacturers in the pharmaceutical, agrochemical, and advanced material science sectors for developing novel compounds and conducting sophisticated tracer studies.

Application

• Pharmaceutical Research: Acts as a deuterium-labeled building block for the synthesis of novel active pharmaceutical ingredients (APIs) and prodrugs, enabling metabolic stability studies and pharmacokinetic profiling.
• Agrochemical Development: Used in the creation of isotopically labeled pesticides and herbicides to study environmental fate, degradation pathways, and metabolic behavior in plants.
• Analytical Chemistry: Serves as an internal standard or reference material in mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy for accurate quantification and structural elucidation.
• Material Science: Employed in the synthesis of specialty polymers and advanced materials where deuterium incorporation is needed to modify physical properties or for neutron scattering studies.
• Organic Synthesis Intermediate: Functions as a key protected or activated intermediate in complex multi-step organic syntheses, particularly where the vinyl ester group is required for further transformations.

Basic Information

Product Name	2-tert-Butyl-5-Methyl-1,3-Dioxane-5-Carboxylic Acid Vinyl Ester-D3
CAS No.	1189464-68-3
Molecular Formula	C₁₂H₁₇D₃O₄
Molecular Weight	231.30 g/mol (approx.)
Synonyms	2-tert-Butyl-5-methyl-1,3-dioxane-5-carboxylic acid vinyl-d3 ester; Vinyl 2-(tert-butyl)-5-methyl-1,3-dioxane-5-carboxylate-d3; 1,3-Dioxane-5-carboxylic acid, 2-(1,1-dimethylethyl)-5-methyl-, vinyl-d3 ester; Deuterated Vinyl Ester of 2-tert-Butyl-5-methyl-1,3-dioxane-5-carboxylic Acid; [D3]-2-tert-Butyl-5-methyl-1,3-dioxane-5-carboxylic acid vinyl ester
EINECS	Contact for details

Quality Control

Every batch of 2-tert-Butyl-5-Methyl-1,3-Dioxane-5-Carboxylic Acid Vinyl Ester-D3 is produced and analyzed under strict quality management protocols to ensure the highest standards of isotopic purity and chemical integrity. Our products undergo rigorous quality testing, including advanced spectroscopic and chromatographic methods, to ensure compliance with precise customer specifications. Certificates of Analysis (COA) detailing isotopic enrichment (D%), chemical purity, and identity are available upon request.

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). Keep away from heat, sparks, and open flame. Due to the presence of the vinyl ester group and potential sensitivity, it is recommended to store under an inert atmosphere for long-term stability and to minimize moisture uptake.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Isotopic Purity (D%, MS)	≥ 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.