Description

2-tert-Butyl-5-Methyl-1,3-Dioxane-5-Carboxylic Acid-D3 is a deuterated derivative of a 1,3-dioxane carboxylic acid, serving as a crucial stable isotope-labeled building block. This compound is valued for its role in advanced research and development, particularly in mechanistic studies and analytical method development where isotopic tracing is required. It is primarily sought by researchers and manufacturers in the pharmaceutical, agrochemical, and material science industries for synthesizing labeled compounds and developing internal standards for mass spectrometry.

Application

• Pharmaceutical Research: As a deuterium-labeled intermediate for the synthesis of isotopically labeled active pharmaceutical ingredients (APIs) for drug metabolism and pharmacokinetics (DMPK) studies.
• Analytical Chemistry: Use as an internal standard or reference material in Liquid Chromatography-Mass Spectrometry (LC-MS) and Gas Chromatography-Mass Spectrometry (GC-MS) for accurate quantification.
• Mechanistic Studies: Employed in isotopic labeling experiments to elucidate reaction pathways and mechanisms in organic synthesis.
• Agrochemical Development: As a precursor for creating deuterated versions of agrochemicals to study environmental fate, degradation, and residue analysis.
• Material Science: Potential use in the development of novel polymers or specialty materials where deuterium incorporation modifies physical properties.

Basic Information

Product Name	2-tert-Butyl-5-Methyl-1,3-Dioxane-5-Carboxylic Acid-D3
CAS No.	1185147-81-2
Molecular Formula	C11H17D3O4
Molecular Weight	219.29 g/mol (approx.)
Synonyms	5-Carboxy-2-tert-butyl-5-methyl-1,3-dioxane-d3; 2-(1,1-Dimethylethyl)-5-methyl-1,3-dioxane-5-carboxylic-5,5,5-d3 acid; Deuterated 2-tert-Butyl-5-methyl-1,3-dioxane-5-carboxylic acid; 1,3-Dioxane-5-carboxylic-5,5,5-d3 acid, 2-(1,1-dimethylethyl)-5-methyl-; 2-tert-Butyl-5-methyl-1,3-dioxane-5-carboxylic acid (D3); tert-Butyl methyl dioxane carboxylic acid-D3
EINECS	Contact for details

Quality Control

Our 2-tert-Butyl-5-Methyl-1,3-Dioxane-5-Carboxylic Acid-D3 is produced under strict quality management protocols. Each batch undergoes comprehensive analytical testing, including NMR (¹H, ¹³C) and mass spectrometry, to confirm structure, isotopic purity (D-enrichment), and chemical purity. Certificates of Analysis (COA) detailing batch-specific results are provided to ensure traceability and compliance with your research or production requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at room temperature (15-25°C). Keep away from heat sources and incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Isotopic Purity (D-enrichment)	≥ 98 atom % D
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%

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