Description

(3S)-3β-Butyl-1,3,4,5-Tetrahydroisobenzofuran-1-One is a high-purity chiral intermediate of significant importance in advanced organic synthesis. Its defined stereochemistry and specific molecular framework make it a valuable building block for the development of complex, biologically active molecules. This compound is essential for research and production in the pharmaceutical and fine chemical industries, particularly for creating novel therapeutic agents and specialty chemicals.

Application

• Pharmaceutical Intermediate: A key chiral synthon in the synthesis of active pharmaceutical ingredients (APIs), especially for central nervous system (CNS) and cardiovascular drugs.
• Asymmetric Synthesis: Utilized as a precursor or auxiliary in catalytic asymmetric reactions to introduce stereocenters with high enantiomeric purity.
• Fine Chemical Production: Serves as a building block for creating complex fragrances, agrochemicals, and other high-value specialty chemicals.
• Academic & Industrial R&D: Used in medicinal chemistry research for lead compound optimization and structure-activity relationship (SAR) studies.
• Process Chemistry: Employed in scale-up and route development for the commercial manufacturing of chiral compounds.

Basic Information

Product Name	(3S)-3β-Butyl-1,3,4,5-Tetrahydroisobenzofuran-1-One
CAS No.	63038-10-8
Molecular Formula	C₁₂H₂₀O₂
Molecular Weight	196.29 g/mol
Synonyms	(3S)-3-Butyl-3,4,5,6-tetrahydro-1H-isobenzofuran-1-one; (3S)-3-Butyl-1,3,4,5-tetrahydroisobenzofuran-1-one; (S)-3-Butyl-3,4,5,6-tetrahydroisobenzofuran-1-one; (S)-3-Butyl-1,3,4,5-tetrahydroisobenzofuran-1-one; (3S)-3-n-Butyl-3,4,5,6-tetrahydrophthalide; (S)-3-n-Butylphthalide (related); L-3-Butylphthalide derivative; Chiral butylphthalide isomer
EINECS	Contact for details

Quality Control

Our (3S)-3β-Butyl-1,3,4,5-Tetrahydroisobenzofuran-1-One is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including chiral purity (enantiomeric excess) and chemical purity determination by HPLC, GC, and NMR, to ensure it meets the stringent requirements for pharmaceutical intermediates. A Certificate of Analysis (COA) detailing all specifications is provided with every shipment.

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 away from incompatible materials such as strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Enantiomeric Purity (Chiral HPLC)	≥ 99.0% ee
Melting Point	Contact for details
Loss on Drying	≤ 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.