Description

(3S)-4-Acetyl-1,3-Dihydro-1-Oxo-5-[(1S)-1,3,3-Trimethylcyclohexyl]Isobenzofuran-3-Ol Acetate is a high-purity, chiral synthetic intermediate of significant interest in advanced organic synthesis. Its complex, rigid molecular framework makes it a valuable precursor for constructing sophisticated target molecules with precise stereochemistry. This compound is primarily sought after by research and development teams in the pharmaceutical and fine chemical industries for applications in drug discovery and process chemistry.

Application

• Pharmaceutical Intermediate: A key chiral building block for the synthesis of novel active pharmaceutical ingredients (APIs), particularly in therapeutic areas requiring complex, stereochemically defined structures.
• Asymmetric Synthesis: Utilized as a starting material or advanced intermediate in catalytic asymmetric reactions to introduce specific stereocenters into target molecules.
• Fragrance & Flavor Chemistry: Serves as a precursor for the development of high-value, structurally unique aroma chemicals and flavorants, leveraging its substituted isobenzofuran and terpene-like moiety.
• Material Science Research: Investigated as a monomer or functional additive for creating specialty polymers with tailored optical or physical properties.
• Academic & Contract Research: Employed in university and CRO laboratories for methodological studies in total synthesis and the development of new synthetic transformations.

Basic Information

Product Name	(3S)-4-Acetyl-1,3-Dihydro-1-Oxo-5-[(1S)-1,3,3-Trimethylcyclohexyl]Isobenzofuran-3-Ol Acetate
CAS No.	102396-21-4
Molecular Formula	C21H28O5
Molecular Weight	360.45 g/mol
Synonyms	4-Acetyl-1,3-dihydro-1-oxo-5-[(1S)-1,3,3-trimethylcyclohexyl]-3(S)-isobenzofuranyl acetate; (3S)-4-Acetyl-1,3-dihydro-1-oxo-5-[(1S)-1,3,3-trimethylcyclohexyl]-3-isobenzofuranyl acetate; 5-[(1S)-1,3,3-Trimethylcyclohexyl]-4-acetyl-1,3-dihydro-1-oxo-3(S)-isobenzofuranyl acetate; Ambretone; (3S)-4-Acetyl-5-[(1S)-1,3,3-trimethylcyclohexyl]-1,3-dihydro-1-oxo-3-isobenzofuranyl acetate; 3(S)-Acetoxy-4-acetyl-5-[(1S)-1,3,3-trimethylcyclohexyl]-1(3H)-isobenzofuranone
EINECS	Contact for details

Quality Control

Our production of (3S)-4-Acetyl-1,3-Dihydro-1-Oxo-5-[(1S)-1,3,3-Trimethylcyclohexyl]Isobenzofuran-3-Ol Acetate adheres to stringent internal quality standards, ensuring batch-to-batch consistency and high chemical purity. Identity, purity, and chiral integrity are verified through a comprehensive suite of analytical techniques including HPLC, GC, NMR, and optical rotation. A Certificate of Analysis (COA) detailing all specifications is provided with each shipment.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (15-25°C). Keep away from strong bases and incompatible organic solvents. For long-term storage, consider inert gas purging.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to reference spectrum
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm

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