Description

1,2,4-Ethanylylidene-1H-Cyclobuta[Cd]Pentalen-5-Amine,Octahydro-n-Methyl-,(1-α-,1A-Bta-,2-α-,3A-Bta-,4-α-,5-α-,5A-Bta-,5B-Bta-,6S*)-(9Ci) is a complex, stereochemically defined organic compound with a unique polycyclic amine structure. This high-purity chemical building block is critical for advanced research and development in pharmaceutical chemistry, particularly in the synthesis of novel active pharmaceutical ingredients (APIs) and complex natural product analogs. It serves as a key intermediate for medicinal chemists and process development scientists working in drug discovery and fine chemical synthesis.

Application

• Pharmaceutical Intermediate: A crucial building block in the multi-step synthesis of complex drug candidates, especially those targeting central nervous system (CNS) disorders or with intricate polycyclic frameworks.
• Medicinal Chemistry Research: Used in structure-activity relationship (SAR) studies to explore new chemical space and develop novel therapeutic agents with improved efficacy and selectivity.
• Process Chemistry Development: Serves as a key intermediate for scaling up synthetic routes under current Good Manufacturing Practice (cGMP) conditions for preclinical and clinical trial material production.
• Asymmetric Synthesis: Its defined stereochemistry makes it valuable for developing and testing new catalytic asymmetric methodologies and chiral pool syntheses.
• Chemical Biology Probes: Potential use in the design and synthesis of molecular probes for studying biological pathways and protein-ligand interactions.
• Academic & Institutional Research: Employed in universities and research institutes for fundamental studies in organic synthesis and the development of new synthetic methodologies.

Basic Information

Product Name	1,2,4-Ethanylylidene-1H-Cyclobuta[Cd]Pentalen-5-Amine,Octahydro-n-Methyl-,(1-α-,1A-Bta-,2-α-,3A-Bta-,4-α-,5-α-,5A-Bta-,5B-Bta-,6S*)-(9Ci)
CAS No.	93779-11-4
Molecular Formula	Contact for details
Molecular Weight	Contact for details
Synonyms	Octahydro-N-methyl-1,2,4-ethanylylidene-1H-cyclobuta[cd]pentalen-5-amine (9CI); (1α,1aβ,2α,3aβ,4α,5α,5aβ,5bβ,6S*)-Octahydro-N-methyl-1,2,4-ethanylylidene-1H-cyclobuta[cd]pentalen-5-amine; 93779-11-4; A complex polycyclic amine derivative.
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management systems. Each batch undergoes comprehensive analytical characterization, including HPLC for purity, NMR for structural confirmation, and chiral analysis to verify stereochemical integrity. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting key parameters such as assay purity, enantiomeric excess, and impurity profiles. We support development from research to commercial scale with consistent quality.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area. For long-term storage, keep under inert atmosphere (e.g., nitrogen or argon) at temperatures between 2°C and 8°C. Allow the container to reach ambient temperature before opening to prevent moisture condensation.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to reference spectrum
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% e.e.
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH Q3C guidelines

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