Description

(3R)-3Aα,4,5,6,7,7A-Hexahydro-4α-Hydroxy-4,7Aα-Dimethyl-3-[[(1R,5S)-6-Methylene-2-Oxobicyclo[3.2.1]Oct-3-En-1-Yl]Methyl]-1(3H)-Isobenzofuranone CAS NO 94529-68-7 is a complex, stereochemically defined organic compound featuring a fused isobenzofuranone and bicyclic ketone structure. This compound matters as a high-value, advanced synthetic intermediate for research and development in fine chemical synthesis. It is primarily needed by pharmaceutical, agrochemical, and specialty chemical manufacturers for the development of novel active ingredients and complex molecular architectures.

Application

• Pharmaceutical Intermediate: Key building block for the synthesis of novel drug candidates, particularly in steroid-like or terpenoid-based therapeutic areas.
• Agrochemical Research: Used in the development of new pesticides, herbicides, or plant growth regulators with complex ring systems.
• Fine Chemical Synthesis: Serves as a chiral precursor for synthesizing specialty chemicals, flavors, and fragrances requiring specific stereochemistry.
• Academic & R&D Laboratories: Employed in methodological studies and total synthesis projects due to its intricate polycyclic framework.
• Material Science Precursor: Potential intermediate for synthesizing specialized polymers or organic electronic materials with unique properties.

Basic Information

Item	Details
Product Name	(3R)-3Aα,4,5,6,7,7A-Hexahydro-4α-Hydroxy-4,7Aα-Dimethyl-3-[[(1R,5S)-6-Methylene-2-Oxobicyclo[3.2.1]Oct-3-En-1-Yl]Methyl]-1(3H)-Isobenzofuranone
CAS No.	94529-68-7
Molecular Formula	C22H30O4
Molecular Weight	358.47 g/mol
Synonyms	6-Methylene-2-oxobicyclo[3.2.1]oct-3-ene-1-methanol, 1(3H)-isobenzofuranone deriv.; (1R,5S)-6-Methylene-2-oxobicyclo[3.2.1]oct-3-en-1-ylmethyl (3R)-3aα,4,5,6,7,7aα-hexahydro-4α-hydroxy-4,7aα-dimethyl-1(3H)-isobenzofuranone-3-carboxylate (related ester); Complex Lactone-Ketone Bicyclic Intermediate; Advanced Terpenoid-Like Intermediate
EINECS	Contact for details

Quality Control

Our (3R)-3Aα,4,5,6,7,7A-Hexahydro-4α-Hydroxy-4,7Aα-Dimethyl-3-[[(1R,5S)-6-Methylene-2-Oxobicyclo[3.2.1]Oct-3-En-1-Yl]Methyl]-1(3H)-Isobenzofuranone is produced under strict quality management systems. Each batch undergoes comprehensive analytical characterization to ensure identity, purity, and stereochemical integrity. Certificates of Analysis (COA) detailing specifications from HPLC, NMR, and chiral analysis are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). Due to its sensitivity to oxidation, it is recommended to store the product under an inert atmosphere (e.g., nitrogen or argon) for long-term preservation. Keep away from heat and incompatible materials.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to reference spectrum
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 98.0% ee
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.