Description

(1S,2S,3R,6S)-3-Acetoxy-3-Methyl-6-(1-Methylethyl)-2-(3-Oxobutyl) Cyclohexanenitrile is a high-purity, stereochemically defined synthetic intermediate of significant importance in advanced organic synthesis. Its complex, functionalized cyclohexane ring system makes it a valuable chiral building block for the development of novel active pharmaceutical ingredients (APIs) and fine chemicals. This compound is primarily sought by research and development teams in the pharmaceutical, agrochemical, and specialty chemical industries for constructing complex molecular architectures with precise stereochemical control.

Application

• Pharmaceutical Intermediate: A key chiral precursor in the multi-step synthesis of complex drug candidates, particularly those targeting central nervous system (CNS) disorders or with specific stereochemical requirements.
• Agrochemical Synthesis: Used in the research and development of advanced pesticides and herbicides where the specific stereochemistry influences biological activity and environmental profile.
• Fine Chemical Production: Serves as a sophisticated starting material or intermediate for synthesizing specialty chemicals, flavors, fragrances, and advanced materials.
• Academic & Industrial Research: A valuable tool for methodological development in organic chemistry, including studies on asymmetric synthesis, ring transformations, and novel catalytic processes.
• Process Chemistry Development: Employed in scaling up synthetic routes from laboratory to pilot plant and commercial production, where consistent quality and stereochemical purity are critical.

Basic Information

Product Name	(1S,2S,3R,6S)-3-Acetoxy-3-Methyl-6-(1-Methylethyl)-2-(3-Oxobutyl) Cyclohexanenitrile
CAS No.	131447-90-0
Molecular Formula	C17H25NO3
Molecular Weight	291.39 g/mol
Synonyms	3-Acetoxy-3-methyl-6-(1-methylethyl)-2-(3-oxobutyl)cyclohexanecarbonitrile, (1S,2S,3R,6S)-rel-3-(Acetyloxy)-3-methyl-6-(1-methylethyl)-2-(3-oxobutyl)cyclohexanecarbonitrile, (-)-3-Acetoxy-3-methyl-6-isopropyl-2-(3-oxobutyl)cyclohexanenitrile, Chiral Cyclohexanenitrile Derivative, Stereo-defined Cyclohexane Nitrile Intermediate
EINECS	Contact for details

Quality Control

Our production of (1S,2S,3R,6S)-3-Acetoxy-3-Methyl-6-(1-Methylethyl)-2-(3-Oxobutyl) Cyclohexanenitrile adheres to stringent quality management protocols to ensure batch-to-batch consistency, high chemical purity, and precise stereochemical integrity. Each lot is fully characterized using advanced analytical techniques including chiral HPLC, NMR, and GC-MS. A comprehensive Certificate of Analysis (COA) detailing identity, purity, enantiomeric excess, and impurity profiles is provided with every shipment to support your quality and regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (typically 15-25°C). This compound may be sensitive to moisture and prolonged exposure to elevated temperatures. Keep away from strong oxidizing agents and bases.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Enantiomeric Purity (Chiral HPLC)	≥ 98.0% e.e.
Related Substances (HPLC)	Total impurities ≤ 2.0%
Any single unknown impurity	≤ 0.5%
Residual Solvents (GC)	Complies with ICH Q3C guidelines

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