Description

3A(1H)-Pentalenol, 3-Ethynylhexahydro-, (3R,3Ar,6As)-Rel- (9Ci) is a specialized chiral intermediate of significant interest in advanced organic synthesis. This compound matters for its unique pentalene-derived framework and ethynyl functionality, which serve as a versatile building block for constructing complex molecular architectures. It is primarily needed by research and development chemists in the pharmaceutical and agrochemical industries for the synthesis of novel active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: Key chiral building block for the research and development of new active pharmaceutical ingredients (APIs), particularly in medicinal chemistry programs.
• Agrochemical Synthesis: Used in the development of novel pesticides and herbicides, leveraging its complex, functionalized structure.
• Advanced Material Research: Serves as a precursor in the synthesis of specialized polymers or organic electronic materials due to its rigid, fused-ring system.
• Catalyst Ligand Development: Potential use in the design and synthesis of novel chiral ligands for asymmetric catalysis.
• Academic & Industrial R&D: A valuable tool for methodological studies in organic synthesis and total synthesis of natural products.

Basic Information

Product Name	3A(1H)-Pentalenol, 3-Ethynylhexahydro-, (3R,3Ar,6As)-Rel- (9Ci)
CAS No.	222613-90-3
Molecular Formula	C11H14O
Molecular Weight	162.23 g/mol
Synonyms	rel-(3R,3aR,6aS)-3-Ethynylhexahydro-3a(1H)-pentalenol; (3R,3aR,6aS)-3-Ethynyloctahydro-1H-pentalen-3a-ol; 3-Ethynylhexahydro-3a(1H)-pentalenol, (3R,3aR,6aS)-rel-; 222613-90-3; 3a(1H)-Pentalenol, 3-ethynylhexahydro-, (3R,3aR,6aS)-rel-; Chiral Pentalenol Ethynyl Derivative
EINECS	Contact for details

Quality Control

Our 3A(1H)-Pentalenol, 3-Ethynylhexahydro-, (3R,3Ar,6As)-Rel- (9Ci) is produced under strict quality management systems. Each batch undergoes rigorous analytical testing, including chiral purity analysis by HPLC, to ensure high chemical and isomeric purity suitable for sensitive synthetic applications. Certificates of Analysis (COA) with detailed chromatographic data are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at controlled room temperature (typically 15-25°C). This material is light-sensitive (store away from light) and may be hygroscopic (moisture-sensitive); keep the container tightly sealed under an inert atmosphere if specified.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 98.0% ee
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.