Description

1,2-Cyclohexanedicarboxylic Acid, 3,4-Dimethyl-5-Oxo-, 1-Methyl Ester, (1R,2S,3S,4S)-rel- is a high-purity, stereochemically defined cyclic diester compound. It serves as a critical advanced pharmaceutical intermediate (API) and a versatile chiral building block for complex organic synthesis. This product is essential for research and manufacturing in the pharmaceutical and fine chemical industries, where precise stereochemistry is paramount for biological activity.

Application

• Pharmaceutical Intermediate: Key chiral synthon for the development of novel active pharmaceutical ingredients (APIs), particularly in therapeutic areas requiring complex molecular architectures.
• Asymmetric Synthesis: Utilized as a chiral auxiliary or precursor in catalytic asymmetric reactions to induce high enantioselectivity.
• Ligand and Catalyst Development: Serves as a precursor for synthesizing specialized ligands used in homogeneous catalysis.
• Fine Chemical Production: Building block for the synthesis of specialty chemicals, including flavors, fragrances, and agrochemicals with specific stereochemical requirements.
• Academic and R&D: Used in research laboratories for methodological studies in organic chemistry and drug discovery programs.
• Material Science: Potential monomer or modifier for creating polymers with specific optical or physical properties.

Basic Information

Item	Details
Product Name	1,2-Cyclohexanedicarboxylic Acid, 3,4-Dimethyl-5-Oxo-, 1-Methyl Ester, (1R,2S,3S,4S)-rel-
CAS No.	813415-68-8
Molecular Formula	C11H16O5
Molecular Weight	228.24 g/mol
Synonyms	rel-(1R,2S,3S,4S)-3,4-Dimethyl-5-oxo-1,2-cyclohexanedicarboxylic acid 1-methyl ester; 1-Methyl 3,4-dimethyl-5-oxo-1,2-cyclohexanedicarboxylate; Dimethyl 3,4-dimethyl-5-oxo-1,2-cyclohexanedicarboxylate (relative stereochemistry); CAS 813415-68-8; 5-Oxo-3,4-dimethyl-1,2-cyclohexanedicarboxylic acid 1-methyl ester; Chiral cyclohexane diester
EINECS	Contact for details

Quality Control

Our production of this chiral intermediate adheres to strict quality management systems. Each batch is characterized using advanced analytical techniques including HPLC, GC, Chiral HPLC, and NMR to ensure identity, purity, and stereochemical integrity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment. We support cGMP compliance for pharmaceutical applications.

Storage

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

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% de
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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