Description

3-Cyclohexene-1-Carbonitrile, 4,6-Dimethyl-2-Oxo-, (6S)- (9Ci) is a high-purity, chiral nitrile compound featuring a cyclohexene ring system. This specialized intermediate is valued for its defined stereochemistry and functional groups, which are critical for constructing complex molecular architectures in advanced synthesis. It is primarily utilized by research and development chemists and process scale-up teams in the pharmaceutical and agrochemical industries for the production of active ingredients and novel chemical entities.

Application

• Pharmaceutical Intermediate: A key chiral building block in the synthesis of novel drug candidates, particularly for central nervous system (CNS) and anti-inflammatory targets.
• Agrochemical Synthesis: Used in the research and development of advanced pesticides and herbicides, leveraging its complex cyclic structure.
• Asymmetric Catalysis Research: Serves as a substrate or ligand precursor in the development of new catalytic systems for stereoselective reactions.
• Fine Chemical Production: Employed in the multi-step synthesis of specialty chemicals, flavors, and fragrances requiring high stereochemical purity.
• Academic & Institutional Research: A valuable compound for methodological studies in organic synthesis and medicinal chemistry within university and government laboratories.

Basic Information

Product Name	3-Cyclohexene-1-Carbonitrile, 4,6-Dimethyl-2-Oxo-, (6S)- (9Ci)
CAS No.	253451-25-1
Molecular Formula	C9H11NO
Molecular Weight	149.19 g/mol
Synonyms	(6S)-4,6-Dimethyl-2-oxo-3-cyclohexene-1-carbonitrile; (6S)-4,6-Dimethyl-2-oxocyclohex-3-ene-1-carbonitrile; 4,6-Dimethyl-2-oxo-3-cyclohexene-1-carbonitrile, (6S)-; 3-Cyclohexene-1-carbonitrile, 4,6-dimethyl-2-oxo-, (6S)-; (S)-4,6-Dimethyl-2-oxocyclohex-3-ene-1-carbonitrile
EINECS	Contact for details

Quality Control

Our production of 3-Cyclohexene-1-Carbonitrile, 4,6-Dimethyl-2-Oxo-, (6S)- (9Ci) adheres to stringent in-process controls and final release testing to ensure batch-to-batch consistency and high chemical purity. Each lot is supported by a comprehensive Certificate of Analysis (COA) detailing key parameters such as chiral purity, chemical assay, and impurity profile. We operate under a quality management system and can supply material suitable for use in cGMP environments upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed to exclude moisture. Keep away from heat, sparks, and open flame.

Specification

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

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