Description

4-Isobenzofurancarboxylicacid,6-Ethyl-1,3,3A,4,5,7A-Hexahydro-3-Oxo-,Methylester,(3Ar,4S,7Ar)-Rel-(9Ci) is a high-purity, stereochemically defined organic building block of significant interest in advanced chemical synthesis. This compound matters as a versatile chiral intermediate, enabling the construction of complex molecular architectures with precise three-dimensional control. It is primarily needed by research and development teams in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: Serves as a key chiral synthon in the research and development of new drug candidates, particularly for central nervous system (CNS) and anti-inflammatory targets.
• Agrochemical Synthesis: Used in the development of advanced, stereospecific pesticides and herbicides where biological activity is highly dependent on molecular configuration.
• Asymmetric Catalysis Research: Employed as a ligand precursor or a test substrate in the development of new catalytic systems for stereoselective transformations.
• Fine Chemical Production: Acts as a building block for the synthesis of specialty chemicals, flavors, and fragrances requiring specific stereochemistry.
• Academic & Institutional Research: Utilized in university and government laboratories for methodological studies in organic synthesis and medicinal chemistry.

Basic Information

Product Name	4-Isobenzofurancarboxylicacid,6-Ethyl-1,3,3A,4,5,7A-Hexahydro-3-Oxo-,Methylester,(3Ar,4S,7Ar)-Rel-(9Ci)
CAS No.	639088-39-4
Molecular Formula	C12H16O4
Molecular Weight	224.26 g/mol
Synonyms	Methyl (3aR,4S,7aR)-6-ethyl-3-oxo-1,3,3a,4,5,7a-hexahydro-4-isobenzofurancarboxylate; Rel-(3aR,4S,7aR)-Methyl 6-ethyl-3-oxo-1,3,3a,4,5,7a-hexahydro-4-isobenzofurancarboxylate; 6-Ethyl-1,3,3a,4,5,7a-hexahydro-3-oxo-4-isobenzofurancarboxylic acid methyl ester, (3aR,4S,7aR)-rel-; (3aR,4S,7aR)-rel-Methyl 6-ethyl-3-oxo-1,3,3a,4,5,7a-hexahydroisobenzofuran-4-carboxylate
EINECS	Contact for details

Quality Control

Our products undergo rigorous quality testing to ensure compliance with industry standards. Every batch is characterized using advanced analytical techniques including HPLC, GC, NMR, and chiral analysis to confirm identity, purity, and enantiomeric excess. Certificates of Analysis (COA) detailing all specifications are available upon request. We adhere to a cGMP-compliant quality management system for traceability and consistency.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). This product is moisture-sensitive (hygroscopic); keep the container tightly sealed under an inert atmosphere if opened for prolonged use.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% e.e.
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.