Description

2(1H)-Pentalenone, 5-(Benzoyloxy)Hexahydro-4-(Hydroxymethyl)-, [3As-(3A,4,5,6A)]- is a complex, stereochemically defined organic compound with a fused pentalenone core structure, functionalized with benzoyloxy and hydroxymethyl groups. This specific molecular architecture makes it a valuable advanced pharmaceutical intermediate and a versatile building block for synthetic organic chemistry. It is primarily sought after by research institutions and manufacturers in the pharmaceutical and fine chemical industries for the development of novel active ingredients and complex molecular scaffolds.

Application

• Pharmaceutical Intermediate: Serves as a key chiral precursor in the synthesis of complex drug candidates, particularly those targeting central nervous system or anti-inflammatory pathways.
• Organic Synthesis Building Block: Utilized in advanced organic reactions, including stereoselective transformations, to construct intricate polycyclic frameworks.
• Medicinal Chemistry Research: Employed in structure-activity relationship (SAR) studies and the discovery of new bioactive molecules due to its unique fused-ring system.
• Process Chemistry Development: Used for scaling up synthetic routes in pilot plants and optimizing manufacturing processes for target APIs.
• Academic Research: Acts as a substrate for developing new synthetic methodologies or studying reaction mechanisms in university and institutional labs.

Basic Information

Product Name	2(1H)-Pentalenone, 5-(Benzoyloxy)Hexahydro-4-(Hydroxymethyl)-, [3As-(3A,4,5,6A)]-
CAS No.	74842-93-6
Molecular Formula	C17H20O4
Molecular Weight	288.34 g/mol
Synonyms	5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2(1H)-pentalenone; [3As-(3A,4,5,6A)]-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2(1H)-pentalenone; 4-(Hydroxymethyl)-5-(benzoyloxy)hexahydro-2(1H)-pentalenone; (3aR,4S,5R,6aS)-5-(Benzoyloxy)hexahydro-4-(hydroxymethyl)-2H-pentalen-2-one; Hexahydro-4-(hydroxymethyl)-5-(benzoyloxy)-2(1H)-pentalenone; 74842-93-6; Pentalenone derivative
EINECS	Contact for details

Quality Control

Our production of this high-value intermediate adheres to strict quality management systems. Every batch is characterized and tested using advanced analytical techniques including HPLC, GC, NMR, and mass spectrometry to ensure identity, purity, and stereochemical integrity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment. We support cGMP compliance for pharmaceutical applications, with documentation tailored to meet rigorous audit standards.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). The compound may be hygroscopic (moisture-sensitive); keep the container tightly sealed under an inert atmosphere if specified. Keep away from strong oxidizing agents.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to reference spectrum
Identification (HPLC)	Retention time matches reference standard
Assay (HPLC)	≥ 98.0%
Enantiomeric Excess (Chiral HPLC)	≥ 99.0%
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.