Description

1-Pentalenecarboxylicacid,3-Ethoxy-1,2,3,3A,6,6A-Hexahydro-,Methylester,(3Ar,6As)-Rel-[Partial]-(9Ci) CAS NO 192227-54-6 is a complex, stereochemically defined bicyclic ester derivative of pentalenecarboxylic acid. This compound is a high-value chemical intermediate prized for its unique molecular architecture, which makes it a versatile building block for advanced synthesis. It is primarily sought after by pharmaceutical research and development organizations and fine chemical manufacturers for constructing novel active pharmaceutical ingredients (APIs) and other complex organic molecules.

Application

• Pharmaceutical Intermediate: Serves as a key chiral synthon in the multi-step synthesis of novel drug candidates, particularly in medicinal chemistry programs.
• Agrochemical Research: Used as a precursor in the development of new pesticides and herbicides, leveraging its bicyclic core structure.
• Material Science: Acts as a monomer or functional additive in the research of specialized polymers and advanced materials.
• Academic & Contract Research: Employed in university and CRO laboratories for methodological studies in organic synthesis and catalysis.
• Flavor & Fragrance Industry: Potential use as an intermediate for synthesizing complex odorants and flavoring agents due to its ester functionality and structural complexity.

Basic Information

Product Name	1-Pentalenecarboxylicacid,3-Ethoxy-1,2,3,3A,6,6A-Hexahydro-,Methylester,(3Ar,6As)-Rel-[Partial]-(9Ci)
CAS No.	192227-54-6
Molecular Formula	C13H20O3
Molecular Weight	224.30 g/mol
Synonyms	Methyl 3-ethoxy-1,2,3,3a,6,6a-hexahydro-1-pentalenecarboxylate, rel-(3aR,6aS)-; (3aR,6aS)-rel-Methyl 3-ethoxy-1,2,3,3a,6,6a-hexahydro-1-pentalenecarboxylate; 3-Ethoxy-1,2,3,3a,6,6a-hexahydro-1-pentalenecarboxylic acid methyl ester, (3aR,6aS)-rel-; 1-Pentalenecarboxylic acid, 3-ethoxy-1,2,3,3a,6,6a-hexahydro-, methyl ester, (3aR,6aS)-rel-; Bicyclo[3.3.0]octane-1-carboxylic acid derivative; CAS 192227-54-6.
EINECS	Contact for details

Quality Control

Every batch of this advanced intermediate is produced under strict quality management protocols. We employ advanced analytical techniques including HPLC, GC, NMR, and chiral analysis to ensure identity, purity, and stereochemical integrity. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profile is provided with each 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 controlled room temperature (15-25°C). Keep the container tightly sealed in a dry environment to maintain product integrity.

Specification

Item	Specification
Appearance	Colorless to pale yellow liquid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Chiral Purity	≥ 99.0% ee (by chiral HPLC or GC)
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.