Description

(3''As,4''R,5''R,6''Ar)-5''-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]hexahydro-5,5-dimethylspiro[1,3-dioxane-2,2''(1''H)-pentalene]-4''-carboxylic acid methyl ester is a sophisticated chiral intermediate featuring a spirocyclic and pentalene-derived structure, protected by a tert-butyldimethylsilyl (TBDMS) group. This compound is of critical importance in asymmetric synthesis and pharmaceutical research, where its defined stereochemistry serves as a key building block for complex active pharmaceutical ingredients (APIs). It is primarily utilized by research institutions and development laboratories in the pharmaceutical and fine chemical sectors for the synthesis of novel therapeutic agents.

Application

• Advanced Pharmaceutical Intermediate: A key chiral synthon in the multi-step synthesis of complex drug candidates, particularly those targeting central nervous system (CNS) disorders or with specific stereochemical requirements.
• Asymmetric Catalysis & Method Development: Used in academic and industrial research to develop new asymmetric synthetic methodologies and catalytic cycles.
• Process Chemistry & Scale-Up: Serves as a critical intermediate during the process research and development (PR&D) and optimization phases for new chemical entities (NCEs).
• Protecting Group Chemistry: The TBDMS-protected alcohol functionality allows for selective reactions elsewhere on the molecule, making it valuable for complex, multi-functional molecule assembly.
• Reference Standard & Analytical Testing: Employed as a high-purity standard for analytical method development, validation, and quality control (QC) in API manufacturing.

Basic Information

Item	Details
Product Name	(3''As,4''R,5''R,6''Ar)-5''-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]hexahydro-5,5-dimethylspiro[1,3-dioxane-2,2''(1''H)-pentalene]-4''-carboxylic acid methyl ester
CAS No.	127708-13-8
Molecular Formula	C22H38O5Si
Molecular Weight	410.62 g/mol
Synonyms	Methyl (3aR,4R,5R,6aS)-5-[(tert-butyldimethylsilyl)oxy]hexahydro-5,5-dimethylspiro[1,3-dioxane-2,2'(1'H)-pentalene]-4'-carboxylate; TBDMS-protected spiro-pentalene ester; 5-O-(tert-Butyldimethylsilyl) hexahydro-5,5-dimethylspiro[1,3-dioxane-2,2'(1'H)-pentalene]-4'-carboxylic acid methyl ester; CAS 127708-13-8; Spiro[1,3-dioxane-2,2'-pentalene] derivative; Chiral spirocyclic TBDMS ether.
EINECS	Contact for details

Quality Control

We maintain a rigorous quality management system to ensure batch-to-batch consistency and high purity for research and development applications. Our products undergo comprehensive analytical testing, including HPLC for purity and chiral analysis to confirm stereochemical integrity. A detailed Certificate of Analysis (COA) is provided with each shipment, documenting key parameters such as assay, enantiomeric excess, and identification. Specifications can be aligned with cGMP guidelines for advanced pharmaceutical development upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). The compound is light-sensitive and should be handled under appropriate conditions to maintain stability. Keep away from strong bases and fluorides.

Specification

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