Description

(1α,3α,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, valued for its role as a stable isotope-labeled intermediate in advanced chemical synthesis. This compound is critical for research and development in pharmaceutical and agrochemical sectors where isotopic labeling is required for metabolic studies, tracer analysis, and the synthesis of novel active ingredients. It serves the needs of specialized fine chemical manufacturers and R&D laboratories focused on deuterium chemistry and process development.

Application

• Deuterated Pharmaceutical Intermediate: Used in the synthesis of deuterium-labeled drug candidates for pharmacokinetic and metabolic stability studies.
• Agrochemical Research: Serves as a building block for creating isotopically labeled pesticides and herbicides to study environmental fate and degradation pathways.
• Analytical Standard: Employed as an internal standard or reference material in mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy for quantitative analysis.
• Organic Synthesis: Acts as a versatile chiral synthon in complex organic transformations, leveraging its bicyclic structure for stereoselective synthesis.
• Fragrance & Flavor Chemistry: Potential use in the research and development of novel, stable fragrance compounds due to its terpene-derived backbone.
• Material Science Research: Investigated as a precursor for specialized polymers or coatings where deuterium incorporation modifies physical properties.

Basic Information

Product Name	(1α,3α,6α)-1,6-Dimethyl(2,2,5,5-2H4)Bicyclo[4.1.0]Heptane-3-Carboxylic Acid Methyl Ester
CAS No.	65414-38-2
Molecular Formula	C11H14D4O2
Molecular Weight	~ 186.28 g/mol
Synonyms	Methyl (1α,3α,6α)-1,6-Dimethyl(2,2,5,5-2H4)bicyclo[4.1.0]heptane-3-carboxylate; Deuterated Carane Methyl Ester; 1,6-Dimethyl-2,2,5,5-tetradeuteriobicyclo[4.1.0]heptane-3-carboxylic Acid Methyl Ester; (1S,3S,6S)-1,6-Dimethyl(2,2,5,5-2H4)bicyclo[4.1.0]heptane-3-carboxylic Acid Methyl Ester; Tetradeuterated Carane-3-carboxylic Acid Methyl Ester; d4-Carane Methyl Ester Derivative
EINECS	Contact for details

Quality Control

Our production of this deuterated specialty chemical adheres to strict quality protocols to ensure batch-to-batch consistency and isotopic purity. Quality is verified through advanced analytical techniques including NMR, GC-MS, and HPLC. A comprehensive Certificate of Analysis (COA) detailing isotopic enrichment (D-atom %), chemical purity, and identity confirmation is provided with each shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). Keep away from strong bases and incompatible organic solvents. For long-term storage under inert atmosphere, please contact our technical team for specific recommendations.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to reference spectrum
Identification (NMR)	Conforms to structure
Purity (GC or HPLC)	≥ 95.0%
Isotopic Purity (D-atom %)	≥ 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.