Description

(3R,9As)-3,4,5,5A,6,7,8,9-Octahydro-2,2,5Aβ-Trimethyl-9-Methylene-2H-3,9A-Methano-1-Benzoxepin CAS NO 6040-08-0 is a high-purity, complex organic compound belonging to the benzoxepin class, characterized by its unique fused tricyclic structure. This compound is valued as a critical intermediate in advanced organic synthesis, particularly for constructing intricate molecular architectures found in pharmaceuticals and specialty chemicals. It is primarily sought after by research institutions, pharmaceutical R&D labs, and fine chemical manufacturers engaged in developing novel active ingredients and complex molecules.

Application

• Pharmaceutical Intermediate: A key chiral building block for the synthesis of novel drug candidates, especially in central nervous system (CNS) and anti-inflammatory research.
• Organic Synthesis Reagent: Used in advanced organic reactions, including cycloadditions and stereoselective transformations, to create complex polycyclic frameworks.
• Agrochemical Research: Serves as a precursor in the development of new, high-performance active ingredients for crop protection products.
• Fragrance & Flavor Chemistry: Potential intermediate for synthesizing unique musk-like or woody odorant molecules due to its complex, rigid structure.
• Material Science Research: Investigated as a monomer or precursor for specialty polymers with specific thermal or optical properties.
• Academic & Process Chemistry: Used in methodological studies and scale-up process development for complex molecule manufacturing.

Basic Information

Product Name	(3R,9As)-3,4,5,5A,6,7,8,9-Octahydro-2,2,5Aβ-Trimethyl-9-Methylene-2H-3,9A-Methano-1-Benzoxepin
CAS No.	6040-08-0
Molecular Formula	C17H26O
Molecular Weight	246.39 g/mol
Synonyms	9-Methylene-2,2,5aβ-trimethyl-3,4,5,5a,6,7,8,9-octahydro-2H-3,9a-methano-1-benzoxepin; (-)-Ambrox; (-)-Ambroxide; (3R,5aS,9aS,9bR)-3,4,5,5a,6,7,8,9-Octahydro-3,5a,9-trimethylnaphtho[1,2-c]furan; (3R,5aS,9aS,9bR)-3,5a,9-Trimethyl-2H,3H,4H,5H,5aH,6H,7H,9H,9aH,9bH-naphtho[1,2-c]furan; Ambrox DL; Fixateur 404; Amberwood F; Ambermore
EINECS	Contact for details

Quality Control

Our production of (3R,9As)-3,4,5,5A,6,7,8,9-Octahydro-2,2,5Aβ-Trimethyl-9-Methylene-2H-3,9A-Methano-1-Benzoxepin adheres to stringent quality protocols to ensure batch-to-batch consistency and high purity. Every lot is analyzed using advanced techniques including GC, HPLC, and chiral analysis to confirm identity, potency, and enantiomeric purity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with each shipment, supporting compliance in regulated research and development environments.

Storage

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

Specification

Item	Specification
Appearance	Colorless to pale yellow viscous liquid
Identification (IR)	Conforms to reference spectrum
Assay (GC)	≥ 97.0%
Enantiomeric Purity (Chiral GC/HPLC)	≥ 99.0% ee
Specific Rotation [α]20/D	-40° to -50° (c=1 in CHCl3)
Refractive Index n20/D	1.495 - 1.505
Related Substances (GC)	Total impurities ≤ 3.0%
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.