Description

4-Isobenzofurancarboxylicacid,6-Ethyl-1,3,3A,4,5,7A-Hexahydro-3-Oxo-,Methylester,(3Ar,4R,7Ar)-Rel-(9Ci) is a high-purity, stereochemically defined organic intermediate of significant interest in advanced chemical synthesis. Its complex, fused-ring structure makes it a valuable building block for the development of novel pharmacologically active compounds. This material is primarily targeted at research and development teams in the pharmaceutical and agrochemical industries, where it serves as a key precursor in the synthesis of complex molecules.

Application

• Pharmaceutical Intermediate: A critical chiral synthon for the research and development of new active pharmaceutical ingredients (APIs), particularly in central nervous system (CNS) and anti-inflammatory drug candidates.
• Agrochemical Synthesis: Used in the development of advanced pesticides and herbicides, where its specific stereochemistry can influence biological activity and selectivity.
• Organic Chemistry Research: Serves as a sophisticated starting material or intermediate in academic and industrial laboratories for methodological studies and the synthesis of complex natural product analogs.
• Fine Chemical Production: Employed in the multi-step synthesis of specialty chemicals requiring high stereochemical purity and structural complexity.

Basic Information

Product Name	4-Isobenzofurancarboxylicacid,6-Ethyl-1,3,3A,4,5,7A-Hexahydro-3-Oxo-,Methylester,(3Ar,4R,7Ar)-Rel-(9Ci)
CAS No.	639088-45-2
Molecular Formula	C12H16O4
Molecular Weight	224.26 g/mol
Synonyms	6-Ethyl-1,3,3a,4,5,7a-hexahydro-3-oxo-4-isobenzofurancarboxylic acid methyl ester, (3aR,4R,7aR)-rel-; Methyl (3aR,4R,7aR)-rel-6-ethyl-3-oxo-1,3,3a,4,5,7a-hexahydro-4-isobenzofurancarboxylate; rel-(3aR,4R,7aR)-Methyl 6-ethyl-3-oxo-1,3,3a,4,5,7a-hexahydro-4-isobenzofurancarboxylate; 4-Isobenzofurancarboxylic acid, 6-ethyl-1,3,3a,4,5,7a-hexahydro-3-oxo-, methyl ester, (3aR,4R,7aR)-rel-; CAS 639088-45-2
EINECS	Contact for details

Quality Control

Every batch of this advanced intermediate is produced under strict quality management systems. We employ rigorous analytical techniques including HPLC, GC, and NMR to ensure high chemical and chiral purity, meeting the exacting standards required for pharmaceutical R&D. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment to ensure full traceability and compliance.

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 flame. For long-term storage, consider inert gas purging to maintain stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to reference spectrum
Identification (HPLC)	Retention time matches reference standard
Assay (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 98.0% de
Related Substances (HPLC)	Total impurities ≤ 2.0% Any single unknown impurity ≤ 0.5%
Residual Solvents (GC)	Complies with ICH Q3C guidelines
Loss on Drying	≤ 0.5%

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