Description

3A(1H)-Pentalenol, 3-Ethynylhexahydro-, (3R,3As,6Ar)-Rel- (9Ci) is a high-purity, stereochemically defined organic intermediate of significant interest in advanced synthetic chemistry. This compound, with CAS number 222613-83-4, is valued for its unique pentalene-derived framework and reactive ethynyl group, enabling precise molecular construction. It is primarily sought after by research institutions and pharmaceutical development teams for the synthesis of novel, complex molecules, including potential active pharmaceutical ingredients (APIs) and specialty materials.

Application

• Pharmaceutical Intermediate: Key building block for the research and development of novel therapeutic compounds and active pharmaceutical ingredients (APIs).
• Organic Synthesis Research: Used in academic and industrial R&D labs to explore new synthetic methodologies and construct complex molecular architectures.
• Agrochemical Development: Serves as a precursor in the synthesis of advanced crop protection agents and specialty agrochemicals.
• Material Science: Potential monomer or precursor for the development of specialty polymers and advanced organic materials with tailored properties.
• Catalyst Ligand Synthesis: Utilized in the preparation of sophisticated ligand systems for asymmetric catalysis and transition metal complexes.

Basic Information

Product Name	3A(1H)-Pentalenol, 3-Ethynylhexahydro-, (3R,3As,6Ar)-Rel- (9Ci)
CAS No.	222613-83-4
Molecular Formula	C11H14O
Molecular Weight	162.23 g/mol
Synonyms	rel-(3R,3aS,6aR)-3-Ethynylhexahydro-1H-pentalen-3a-ol; (3R,3aS,6aR)-3-Ethynyloctahydro-1H-pentalen-3a-ol; 3-Ethynylhexahydro-3a(1H)-pentalenol; 222613-83-4; Pentalenol derivative; Ethynylpentalenol; Stereoisomeric pentalene alcohol.
EINECS	Contact for details

Quality Control

We maintain a rigorous quality assurance program to ensure the integrity and consistency of this advanced intermediate. Each batch is characterized using advanced analytical techniques, including HPLC, GC, NMR, and mass spectrometry, to confirm identity, stereochemical purity, and chemical purity. A comprehensive Certificate of Analysis (COA) detailing all specifications and test results is provided with every shipment. Our quality system is designed to support cGMP and ISO standards for research and development applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (typically 15-25°C). Keep away from heat, sparks, and open flame. For long-term storage under inert atmosphere, please contact our technical team for specific recommendations.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Enantiomeric Excess (Chiral HPLC)	≥ 99.0%
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH guidelines

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