Description

2-tert-Butyl-5-Methyl-1,3-Dioxane-5-Carboxylic Acid Methyl Ester-D3 is a deuterated derivative of a 1,3-dioxane ester, serving as a valuable stable isotope-labeled intermediate for advanced research and development. This compound is critical for applications requiring precise molecular tracking and metabolic studies, offering enhanced analytical sensitivity and reliability. It is primarily utilized by pharmaceutical researchers, agrochemical developers, and analytical laboratories engaged in the synthesis of novel compounds, drug discovery, and environmental fate studies.

Application

• Pharmaceutical Research & Development: As a stable isotope-labeled building block for synthesizing deuterated drug candidates, enabling pharmacokinetic and metabolic studies.
• Analytical Chemistry Standards: Used as an internal standard in mass spectrometry (LC-MS, GC-MS) for the accurate quantification of its non-deuterated counterpart in complex matrices.
• Agrochemical Innovation: Intermediate in the development and tracing of novel pesticides or herbicides to study degradation pathways and environmental impact.
• Metabolomics and Biomarker Discovery: A tool for tracing biochemical pathways and identifying metabolites in biological systems.
• Organic Synthesis: A specialized synthon for introducing deuterium labels into more complex molecular architectures for material science or chemical biology.
• Regulatory and Forensic Analysis: Supports method development and validation for compliance testing in regulated industries.

Basic Information

Product Name	2-tert-Butyl-5-Methyl-1,3-Dioxane-5-Carboxylic Acid Methyl Ester-D3
CAS No.	1185175-97-6
Molecular Formula	C12H19D3O4
Molecular Weight	233.31 g/mol (approx.)
Synonyms	Methyl 2-tert-butyl-5-methyl-1,3-dioxane-5-carboxylate-d3; 1,3-Dioxane-5-carboxylic acid, 2-(1,1-dimethylethyl)-5-methyl-, methyl ester-d3; Deuterated 2-tert-Butyl-5-methyl-1,3-dioxane-5-carboxylic acid methyl ester; Methyl 2-(tert-butyl)-5-methyl-1,3-dioxane-5-carboxylate (deuterated); D3-labeled 1,3-dioxane ester; Stable isotope-labeled dioxane derivative.
EINECS	Contact for details

Quality Control

Our 2-tert-Butyl-5-Methyl-1,3-Dioxane-5-Carboxylic Acid Methyl Ester-D3 is manufactured under strict quality systems to ensure high isotopic purity and chemical integrity. Each batch is supported by a comprehensive Certificate of Analysis (COA) detailing key parameters such as chemical purity, isotopic enrichment (D-content), and identity confirmation. We adhere to rigorous analytical standards, utilizing techniques like NMR and Mass Spectrometry for verification. Certificates of Analysis are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at controlled room temperature (typically 15-25°C). Keep away from heat sources and incompatible materials. Due to its light-sensitive nature, the container should be opaque or stored in dark conditions.

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-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.