Description

3-Methylbutanoic Acid (3Ar,7Aα)-Octahydro-6β-Vinyl-7α-[1-(Hydroxymethyl)Vinyl]-6-Methyl-3-Methylene-2-Oxobenzofuran-4β-Yl Ester is a specialized, high-purity synthetic intermediate with a complex, multi-cyclic structure. This compound is valued for its unique steric and electronic properties, making it a critical building block in advanced organic synthesis. It is primarily sought after by research and development teams in the pharmaceutical and agrochemical sectors for the development of novel active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: Serves as a key chiral precursor in the synthesis of complex drug candidates, particularly in steroid-like or terpenoid-based therapeutic molecules.
• Agrochemical Research: Used in the development of new-generation pesticides and herbicides, where its structural complexity can contribute to unique modes of action.
• Fine Chemical Synthesis: Acts as a versatile scaffold for creating specialty chemicals, including fragrances, flavors, and advanced materials with specific functional properties.
• Academic & Industrial R&D: Employed in methodological studies and process chemistry for exploring new catalytic reactions and synthetic pathways.

Basic Information

Product Name	3-Methylbutanoic Acid (3Ar,7Aα)-Octahydro-6β-Vinyl-7α-[1-(Hydroxymethyl)Vinyl]-6-Methyl-3-Methylene-2-Oxobenzofuran-4β-Yl Ester
CAS No.	80442-34-8
Molecular Formula	C₂₂H₃₂O₅
Molecular Weight	376.49 g/mol
Synonyms	3-Methylbutanoic acid, (3aR,7aS)-octahydro-6-ethenyl-7a-[1-(hydroxymethyl)ethenyl]-6-methyl-3-methylene-2-oxobenzofuran-4-yl ester; 3-Methylbutyric acid (3aR,7aS)-octahydro-6-vinyl-7a-[1-(hydroxymethyl)vinyl]-6-methyl-3-methylene-2-oxobenzofuran-4-yl ester; CAS 80442-34-8; (3aR,7aS)-4-[(3-Methylbutanoyl)oxy]-6-ethenyl-7a-[1-(hydroxymethyl)ethenyl]octahydro-6-methyl-3-methylenebenzofuran-2-one
EINECS	Contact for details

Quality Control

Our production of 3-Methylbutanoic Acid (3Ar,7Aα)-Octahydro-6β-Vinyl-7α-[1-(Hydroxymethyl)Vinyl]-6-Methyl-3-Methylene-2-Oxobenzofuran-4β-Yl Ester adheres to stringent quality management protocols. Every batch undergoes rigorous analytical testing, including HPLC, GC, and NMR, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications 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, and well-ventilated place at a controlled room temperature (15-25°C). Due to its sensitivity to oxidation, it is recommended to store under an inert atmosphere (e.g., nitrogen or argon) for long-term preservation. Keep away from heat, sparks, and open flames.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to reference spectrum
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
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.