Description

4-Isobenzofurancarboxylicacid,6-Ethyl-1,3,3A,4,5,7A-Hexahydro-3-Oxo-,Methylester,(3Ar,4S,7As)-Rel-(9Ci) is a high-purity, stereochemically defined chemical intermediate of significant interest in advanced organic synthesis. Its complex, fused-ring structure with specific stereochemistry makes it a valuable building block for creating novel molecular architectures. This compound is primarily sought after by research and development teams in the pharmaceutical and agrochemical industries for the synthesis of new active ingredients and complex natural product analogs.

Application

• Pharmaceutical Intermediate: Serves as a key chiral synthon in the research and development of new drug candidates, particularly for central nervous system (CNS) or anti-infective agents.
• Agrochemical Synthesis: Used in the development of novel pesticides or herbicides, where its complex structure can contribute to unique modes of action.
• Organic Synthesis Research: Acts as a versatile scaffold in academic and industrial laboratories for methodology development and the synthesis of complex natural products.
• Material Science Precursor: Potential use in the synthesis of specialized organic ligands or monomers for advanced polymeric materials.
• Chemical Reference Standard: Supplied as a high-purity standard for analytical method development, quality control, and regulatory submissions.

Basic Information

Product Name	4-Isobenzofurancarboxylicacid,6-Ethyl-1,3,3A,4,5,7A-Hexahydro-3-Oxo-,Methylester,(3Ar,4S,7As)-Rel-(9Ci)
CAS No.	639088-38-3
Molecular Formula	C12H16O4
Molecular Weight	224.26 g/mol
Synonyms	Methyl (3aR,4S,7aS)-6-ethyl-3-oxo-1,3,3a,4,5,7a-hexahydro-4-isobenzofurancarboxylate; rel-(3aR,4S,7aS)-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,7aS)-rel-; Methyl 6-ethyl-3-oxo-1,3,3a,4,5,7a-hexahydroisobenzofuran-4-carboxylate (relative configuration)
EINECS	Contact for details

Quality Control

Our 4-Isobenzofurancarboxylicacid,6-Ethyl-1,3,3A,4,5,7A-Hexahydro-3-Oxo-,Methylester,(3Ar,4S,7As)-Rel-(9Ci) is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including chiral purity verification, to ensure identity, strength, and purity. Certificates of Analysis (COA) detailing specifications and test results are provided and can be tailored to meet specific client or regulatory requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at controlled room temperature (15-25°C). Keep the container tightly sealed to protect from moisture.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 98.0% de
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.