Description

(3R)-3Aα,4,5,6,7,7Aα-Hexahydro-6β-Vinyl-3α,6-Dimethyl-5α-(1-Methylethenyl)Benzofuran-2(3H)-One is a high-purity, complex sesquiterpene lactone derivative with a defined stereochemistry, serving as a critical chiral intermediate and building block in advanced organic synthesis. Its unique fused benzofuranone structure makes it valuable for constructing complex molecular architectures with precise spatial orientation. This compound is essential for research and development chemists in the pharmaceutical and fine chemical industries, particularly for the synthesis of novel active pharmaceutical ingredients (APIs) and specialty fragrances.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the research and development of novel therapeutic agents, including anti-inflammatory and anti-cancer compounds.
• Fine Chemical Synthesis: Used as a sophisticated building block in the multi-step synthesis of complex natural product analogs and specialty chemicals.
• Fragrance & Flavor Industry: Serves as a precursor for the synthesis of unique, high-value aroma chemicals with complex woody, ambery, or musk-like olfactory profiles.
• Agrochemical Research: Employed in developing new generations of chiral pesticides and plant growth regulators where specific stereochemistry is crucial for bioactivity.
• Material Science: Investigated as a monomer or cross-linking agent for creating novel polymers with specific optical or mechanical properties.
• Academic & R&D: A valuable reference standard and starting material for methodological studies in asymmetric synthesis and catalysis.

Basic Information

Product Name	(3R)-3Aα,4,5,6,7,7Aα-Hexahydro-6β-Vinyl-3α,6-Dimethyl-5α-(1-Methylethenyl)Benzofuran-2(3H)-One
CAS No.	66964-63-4
Molecular Formula	C₁₅H₂₂O₂
Molecular Weight	234.33 g/mol
Synonyms	6β-Vinyl-3α,6-dimethyl-5α-isopropenyl-3aα,4,5,6,7,7aα-hexahydro-3αH-benzofuran-2-one; (3R)-3a,4,5,6,7,7a-Hexahydro-6-vinyl-3,6-dimethyl-5-(1-methylethenyl)-2(3H)-benzofuranone; 2(3H)-Benzofuranone, 3a,4,5,6,7,7a-hexahydro-6-vinyl-3,6-dimethyl-5-(1-methylethenyl)-, (3R,3aR,5R,6S,7aR)-rel-; A sesquiterpene lactone derivative.
EINECS	Contact for details

Quality Control

Our production of (3R)-3Aα,4,5,6,7,7Aα-Hexahydro-6β-Vinyl-3α,6-Dimethyl-5α-(1-Methylethenyl)Benzofuran-2(3H)-One adheres to stringent in-process controls and final release testing to ensure batch-to-batch consistency and high chemical purity. Products undergo rigorous quality testing, including chiral purity verification, to ensure compliance with industry standards. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with each shipment and is available upon request.

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 flames. For long-term storage, consider storing under an inert atmosphere to maintain optimal stability.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to reference spectrum
Assay (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 98.0% ee
Loss on Drying	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 3.0%

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