Description

(1α,3β,6α)-1,6-Dimethyl(2,2,5,5-2H4)Bicyclo[4.1.0]Heptane-3-Carboxylic Acid Methyl Ester is a deuterated derivative of a bicyclic terpene ester, serving as a critical stable isotope-labeled intermediate. This compound matters for its utility in advanced analytical chemistry and metabolic research, where it provides a non-radioactive tracer for precise quantification and pathway elucidation. It is primarily needed by pharmaceutical R&D laboratories, agrochemical developers, and academic institutions engaged in sophisticated mass spectrometry (MS) and nuclear magnetic resonance (NMR) studies.

Application

• Internal Standard for Mass Spectrometry (MS): Used as a quantitative reference standard in GC-MS and LC-MS analyses for pharmacokinetic and metabolomic studies.
• Metabolic Pathway Tracer: Employed in drug metabolism and disposition (DMPK) research to track the fate of parent compounds and metabolites.
• NMR Spectroscopy: Serves as a deuterated probe in structural analysis and mechanistic studies due to its isotopic labeling.
• Pharmaceutical Intermediate: Acts as a building block in the synthesis of deuterated drug candidates, potentially enhancing metabolic stability.
• Agrochemical Research: Utilized in the development and analysis of labeled pesticides or herbicides to study environmental fate and residue analysis.
• Chemical Reference Material: Provides a high-purity standard for calibrating analytical instruments and validating methods.

Basic Information

Product Name	(1α,3β,6α)-1,6-Dimethyl(2,2,5,5-2H4)Bicyclo[4.1.0]Heptane-3-Carboxylic Acid Methyl Ester
CAS No.	65414-37-1
Molecular Formula	C11H14D4O2
Molecular Weight	~186.28 g/mol
Synonyms	1,6-Dimethyl-2,2,5,5-tetradeuteriobicyclo[4.1.0]heptane-3-carboxylic acid methyl ester; Methyl (1S,3R,6S)-1,6-dimethyl-2,2,5,5-tetradeuteriobicyclo[4.1.0]heptane-3-carboxylate; Deuterated Carane Methyl Ester; d4-Bicyclo[4.1.0]heptane carboxylic acid methyl ester derivative; Isotopically Labeled Terpene Ester; CAS 65414-37-1
EINECS	Contact for details

Quality Control

Our deuterated compounds are produced under strict quality control protocols to ensure isotopic purity and chemical integrity, essential for reliable analytical results. Each batch is characterized using advanced techniques including NMR, GC-MS, and HPLC to confirm deuterium incorporation and chemical purity. Certificates of Analysis (COA) detailing isotopic enrichment, chemical purity, and analytical methods are provided with every shipment.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a dry, well-ventilated area. This material is moisture-sensitive; keep the container tightly sealed under an inert atmosphere if specified.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Isotopic Purity (Deuterium, NMR/MS)	≥ 98 atom % D
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

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