Description

2(1H)-Pentalenone,Hexahydro-3A,6A-Dimethyl-4-(1-Methylethenyl)-,(3As,4S,6As)-(9Ci) is a high-purity, stereochemically defined bicyclic ketone compound of significant interest in advanced organic synthesis. This molecule serves as a sophisticated chiral building block and a key intermediate for the development of complex natural product analogs and novel active pharmaceutical ingredients (APIs). It is primarily sought after by research and development chemists in the pharmaceutical, agrochemical, and fine chemical industries who require precise molecular scaffolds to drive innovation.

Application

• Pharmaceutical Intermediate: A critical chiral synthon for the synthesis of complex drug candidates, particularly in medicinal chemistry programs targeting novel therapeutic agents.
• Agrochemical Research: Used in the development of new, more effective pesticides and herbicides, leveraging its unique bicyclic structure.
• Fine Chemical Synthesis: Serves as a versatile starting material or intermediate for producing specialty chemicals, flavors, and fragrances requiring specific stereochemistry.
• Academic & Industrial R&D: Employed in methodological studies and process chemistry for constructing challenging carbon frameworks and exploring new synthetic routes.
• Material Science Precursor: Potential use in the synthesis of specialized organic ligands or monomers for advanced polymeric materials.

Basic Information

Product Name	2(1H)-Pentalenone,Hexahydro-3A,6A-Dimethyl-4-(1-Methylethenyl)-,(3As,4S,6As)-(9Ci)
CAS No.	581096-88-0
Molecular Formula	C12H20O
Molecular Weight	180.29 g/mol
Synonyms	(3aS,4S,6aS)-Hexahydro-3a,6a-dimethyl-4-(prop-1-en-2-yl)-2H-pentalen-2-one; (3aS,4S,6aS)-4-Isopropenyl-3a,6a-dimethylhexahydro-2H-pentalen-2-one; 4-Isopropenyl-3a,6a-dimethylhexahydro-2H-pentalen-2-one (stereoisomer); Bicyclic sesquiterpene ketone intermediate; Chiral pentalenone derivative
EINECS	Contact for details

Quality Control

Our 2(1H)-Pentalenone,Hexahydro-3A,6A-Dimethyl-4-(1-Methylethenyl)-,(3As,4S,6As)-(9Ci) is produced under strict quality management systems. Every batch undergoes rigorous analytical testing, including chiral purity analysis, to ensure it meets the high standards required for research and process development. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are provided with each shipment to guarantee traceability and consistency for your critical applications.

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). Keep away from heat, sparks, and open flames. For long-term storage, consider an inert atmosphere to maintain optimal stability.

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
Water Content (KF)	≤ 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.