Description

(3S,6S)-tert-Butyl 3-(tert-Butyldimethylsilyloxy)-6-Chloro-6-[(2S,6R)-2,9,9-Trimethyl-3,5-Dioxa-4-Boratricyclo[6.1.1.02,6]Decan-4-Yl]Hexanoate is a sophisticated chiral building block and advanced pharmaceutical intermediate. Its complex, stereochemically defined structure makes it a critical precursor in the synthesis of complex bioactive molecules, particularly in medicinal chemistry. This compound is essential for researchers and manufacturers in the pharmaceutical and fine chemical industries who require high-purity, stereochemically pure intermediates for drug discovery and development programs.

Application

• Pharmaceutical Intermediate: A key chiral synthon in the multi-step synthesis of novel active pharmaceutical ingredients (APIs), particularly for complex target molecules.
• Medicinal Chemistry Research: Used in research laboratories for constructing complex molecular architectures during hit-to-lead and lead optimization phases.
• Process Chemistry Development: Serves as a critical intermediate in scaling up synthetic routes from laboratory to pilot plant and commercial manufacturing.
• Asymmetric Synthesis: Utilized in stereoselective reactions to introduce specific chiral centers into target molecules, leveraging its defined (3S,6S,2S,6R) configuration.
• Fine Chemical Production: Employed in the manufacture of high-value specialty chemicals where precise stereochemistry is required for functionality.
• Protease Inhibitor Research: Potential intermediate in the development of protease inhibitors, given the structural motifs common in such pharmacophores.

Basic Information

Item	Details
Product Name	(3S,6S)-tert-Butyl 3-(tert-Butyldimethylsilyloxy)-6-Chloro-6-[(2S,6R)-2,9,9-Trimethyl-3,5-Dioxa-4-Boratricyclo[6.1.1.02,6]Decan-4-Yl]Hexanoate
CAS No.	1681053-96-2
Molecular Formula	C28H52BClO5Si
Molecular Weight	551.06 g/mol
Synonyms	(3S,6S)-tert-Butyl 3-((tert-butyldimethylsilyl)oxy)-6-chloro-6-((2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)hexanoate; tert-Butyl (3S,6S)-3-[(tert-butyldimethylsilyl)oxy]-6-chloro-6-[(2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]hexanoate; (3S,6S)-3-(TBDMSO)-6-Chloro-6-[(2S,6R)-2,9,9-Trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]hexanoic Acid tert-Butyl Ester; Chiral Boronate Ester Intermediate 1681053-96-2; TBS-Protected Chiral Chloro Boronate Ester; Advanced Pharmaceutical Intermediate CAS 1681053-96-2
EINECS	Contact for details

Quality Control

Our (3S,6S)-tert-Butyl 3-(tert-Butyldimethylsilyloxy)-6-Chloro-6-[(2S,6R)-2,9,9-Trimethyl-3,5-Dioxa-4-Boratricyclo[6.1.1.02,6]Decan-4-Yl]Hexanoate is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including chiral HPLC and NMR, to ensure high chemical and stereochemical purity. Certificates of Analysis (COA) with detailed chromatographic data are provided to guarantee traceability and compliance with your research or production specifications.

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) and should be handled under an inert atmosphere (e.g., nitrogen or argon) when opening to prevent degradation. For long-term storage, consider storing desiccated at 2-8°C.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% 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.