Description

2,2-Dimethylbutanoic Acid [3R-[3a,5,5aa,6a(2R*,4R*),7a,9aS*]]-6-[2-[4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-3,4,5,5a,6,7-hexahydro-7-methyl-2H-3,9a-methano-1-benzoxepin-5-yl Ester is a high-purity, complex organic ester featuring a sterically protected silyl ether group and a multi-ring system. This compound is a critical advanced pharmaceutical intermediate valued for its precise stereochemistry and functional group compatibility in multi-step synthetic routes. It is primarily utilized by research institutions and pharmaceutical manufacturers engaged in the development of novel therapeutic agents, particularly within complex natural product synthesis and targeted drug discovery programs.

Application

• Pharmaceutical Intermediate: A key chiral building block in the multi-step synthesis of complex active pharmaceutical ingredients (APIs), especially for steroidal or polycyclic compounds.
• Organic Synthesis Research: Used in academic and industrial R&D for constructing intricate molecular architectures, leveraging its protected hydroxyl and ester functionalities.
• Process Chemistry Development: Serves as a standardized intermediate for scaling up synthetic pathways from laboratory to pilot plant and commercial production.
• Asymmetric Synthesis: Exploits its defined stereocenters for the stereoselective construction of other chiral molecules in medicinal chemistry.
• Reference Standard: Employed as a high-purity analytical standard for quality control and method development in pharmaceutical analysis.

Basic Information

Item	Details
Product Name	2,2-Dimethylbutanoic Acid [3R-[3a,5,5aa,6a(2R*,4R*),7a,9aS*]]-6-[2-[4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-3,4,5,5a,6,7-hexahydro-7-methyl-2H-3,9a-methano-1-benzoxepin-5-yl Ester
CAS No.	125175-64-6
Molecular Formula	C₃₃H₅₄O₆Si
Molecular Weight	590.87 g/mol
Synonyms	3,9a-Methano-1-benzoxepin-5-ol, 6-[2-[4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-3,4,5,5a,6,7-hexahydro-7-methyl-, 5-(2,2-dimethylbutanoate), (3R,5S,5aS,6R,7S,9aS)-; TBDMS-protected steroid-like intermediate; (3R,5S,5aS,6R,7S,9aS)-6-[2-[4-[(tert-Butyldimethylsilyl)oxy]tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-3,4,5,5a,6,7-hexahydro-7-methyl-2H-3,9a-methano-1-benzoxepin-5-yl 2,2-dimethylbutanoate
EINECS	Contact for details

Quality Control

This high-value intermediate is produced under strict quality management systems. Every batch is characterized using advanced analytical techniques including HPLC, GC, NMR, and mass spectrometry to confirm identity, purity, and stereochemical integrity. Certificates of Analysis (COA) detailing all critical parameters are provided and can be tailored to meet specific client or regulatory requirements for pharmaceutical development.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). This compound is hygroscopic (moisture-sensitive); containers must be kept tightly sealed and under an inert atmosphere (e.g., nitrogen or argon) for long-term storage to prevent degradation. Handle and store in accordance with good laboratory/chemical hygiene practices.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Specific Rotation	Contact for details
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.