Description

Propanedinitrile, [(1R,2S,5R)-2-Methyl-5-(1-Methylethenyl)-3-Oxocyclohexyl]- (9Ci) is a specialized chiral intermediate featuring a complex cyclohexanone structure with a dinitrile functional group. This compound matters for its role as a critical building block in the synthesis of high-value, optically active molecules, enabling precise stereochemical control in complex chemical processes. It is primarily needed by research and development chemists and process scale-up teams in the pharmaceutical and advanced agrochemical industries for creating novel active ingredients.

Application

• Pharmaceutical Intermediate: Serves as a key chiral synthon in the research and development of novel active pharmaceutical ingredients (APIs), particularly for central nervous system (CNS) and anti-inflammatory targets.
• Agrochemical Synthesis: Used in the production of advanced, stereospecific pesticides and herbicides where the specific spatial orientation of the molecule is crucial for biological activity.
• Asymmetric Catalysis Research: Acts as a precursor or ligand in the development of new asymmetric catalytic systems for academic and industrial research.
• Fine Chemical Manufacturing: Employed in the multi-step synthesis of complex fragrance and flavor compounds requiring specific stereochemistry.
• Material Science Precursor: Potential use as a monomer or cross-linking agent in the development of specialized polymers with unique optical or mechanical properties.

Basic Information

Product Name	Propanedinitrile, [(1R,2S,5R)-2-Methyl-5-(1-Methylethenyl)-3-Oxocyclohexyl]- (9Ci)
CAS No.	807368-54-3
Molecular Formula	C13H16N2O
Molecular Weight	216.28 g/mol
Synonyms	(1R,2S,5R)-2-Isopropenyl-5-methyl-3-oxocyclohexylpropanedinitrile; (-)-Menthone cyanohydrin dinitrile derivative; (1R,2S,5R)-2-Methyl-5-(1-methylethenyl)-3-oxocyclohexanepropanedinitrile; 3-Oxocyclohexanepropanedinitrile, 2-methyl-5-(1-methylethenyl)-, (1R,2S,5R)-; Chiral menthone-based dinitrile
EINECS	Contact for details

Quality Control

Our Propanedinitrile, [(1R,2S,5R)-2-Methyl-5-(1-Methylethenyl)-3-Oxocyclohexyl]- (9Ci) is produced under strict quality management systems. Each batch undergoes rigorous analytical testing, including chiral purity verification by HPLC, to ensure consistent stereochemical integrity and chemical purity suitable for advanced synthetic applications. Certificates of Analysis (COA) with detailed chromatographic data are provided to guarantee traceability and batch-to-batch consistency.

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). The container should be kept tightly sealed in a dry environment to minimize exposure to moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 98.0% ee
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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