Description

Bicyclo[3.1.0]Hexane-6-Carbonitrile, 6-(Acetyloxy)-, (1-α-,5-α-,6-Ba-)- (9Ci) is a high-value, stereochemically defined bicyclic nitrile derivative, serving as a critical advanced intermediate in complex organic syntheses. Its unique fused ring structure and functional groups make it an essential building block for constructing novel molecular architectures with precise spatial orientation. This compound is primarily sought after by research chemists and process development scientists in the pharmaceutical and agrochemical industries for the synthesis of active ingredients and novel chemical entities.

Application

• Pharmaceutical Intermediate: Key chiral synthon for the research and development of new active pharmaceutical ingredients (APIs), particularly in central nervous system (CNS) and antiviral drug candidates.
• Agrochemical Synthesis: Used in the creation of novel herbicides and insecticides, where its bicyclic framework contributes to unique biological activity.
• Material Science Research: Serves as a precursor for specialty polymers and liquid crystals, leveraging its rigid molecular structure.
• Catalyst Ligand Development: Potential building block for novel chiral ligands used in asymmetric catalysis.
• Academic & Contract Research: Employed in university and CRO laboratories for methodological studies and the exploration of new chemical spaces.
• Fine Chemical Production: Intermediate in the multi-step synthesis of complex fragrance and flavor molecules.

Basic Information

Product Name	Bicyclo[3.1.0]Hexane-6-Carbonitrile, 6-(Acetyloxy)-, (1-α-,5-α-,6-Ba-)- (9Ci)
CAS No.	123033-16-9
Molecular Formula	C9H11NO2
Molecular Weight	165.19 g/mol
Synonyms	(1α,5α,6β)-6-(Acetyloxy)bicyclo[3.1.0]hexane-6-carbonitrile; 6β-Acetoxybicyclo[3.1.0]hexane-6α-carbonitrile; (1R,5S,6r)-6-(Acetyloxy)bicyclo[3.1.0]hexane-6-carbonitrile; Bicyclo[3.1.0]hexane-6-carbonitrile, 6-(acetyloxy)-, (1α,5α,6β)-; 123033-16-9; 6-Acetoxybicyclo[3.1.0]hexane-6-carbonitrile (stereospecific)
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management systems, ensuring batch-to-batch consistency and high purity. Each lot is characterized using advanced analytical techniques including HPLC, GC, NMR, and chiral analysis to confirm identity, purity, and stereochemical integrity. Certificates of Analysis (COA) detailing all relevant specifications are provided with every shipment. We support compliance with cGMP and ISO 9001 standards for pharmaceutical and industrial applications.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). Keep away from heat, sparks, and open flame. For long-term storage, consider maintaining under an inert atmosphere to preserve stability.

Specification

Item	Specification
Appearance	White to off-white crystalline solid
Identification (IR)	Conforms to structure
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.