Description

4,6-Methano-1,3,2-Benzodioxaborole,2-[(1S)-1-Chloro-3-Methylbutyl]Hexahydro-3A,5,5-Trimethyl-,(3As,4S,6S,7Ar)- is a specialized chiral organoboron compound, identified by CAS number 85167-14-2, that serves as a high-value intermediate in advanced synthetic chemistry. Its complex, stereodefined structure makes it a critical building block for constructing molecules with precise three-dimensional architecture. This compound is essential for research and development chemists in the pharmaceutical and agrochemical sectors, where it is utilized to develop novel active ingredients and fine chemicals.

Application

• Pharmaceutical Intermediate: A key chiral synthon in the asymmetric synthesis of complex drug candidates, particularly for central nervous system (CNS) and antiviral therapeutics.
• Agrochemical Research: Used in the development of novel, stereospecific pesticides and herbicides where specific chirality enhances biological activity and reduces environmental impact.
• Catalyst & Ligand Precursor: Serves as a precursor for sophisticated boron-containing ligands used in transition metal catalysis for C-C and C-X bond-forming reactions.
• Advanced Material Synthesis: Employed in the research of organic electronic materials and boron-doped molecular frameworks with unique optoelectronic properties.
• Academic & R&D Laboratories: A valuable reagent for methodological development in organic synthesis, including studies on Suzuki-Miyaura cross-coupling and other boron-mediated transformations.

Basic Information

Product Name	4,6-Methano-1,3,2-Benzodioxaborole,2-[(1S)-1-Chloro-3-Methylbutyl]Hexahydro-3A,5,5-Trimethyl-,(3As,4S,6S,7Ar)-
CAS No.	85167-14-2
Molecular Formula	C15H26BClO2
Molecular Weight	284.63 g/mol
Synonyms	(3aS,4S,6S,7aR)-2-[(1S)-1-Chloro-3-methylbutyl]hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole; 2-[(1S)-1-Chloro-3-methylbutyl]hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole; Pinanediol (1S)-1-Chloro-3-methylbutylboronate; (S)-Pinanediol (S)-1-Chloro-3-methylbutylboronate; Chiral Chlorobutylboronic Acid Pinanediol Ester; Contact for additional synonyms.
EINECS	Contact for details

Quality Control

Every batch of this high-purity chiral intermediate is produced and tested under strict quality management protocols. We employ advanced analytical techniques including Chiral HPLC, NMR, and GC-MS to verify stereochemical purity, chemical identity, and impurity profiles. A comprehensive Certificate of Analysis (COA) detailing assay, enantiomeric excess, and related substances is provided with each shipment to ensure it meets the exacting standards of process chemistry and R&D applications.

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 must be handled under an inert atmosphere (argon or nitrogen) when opening the primary container to prevent degradation. For long-term storage, consider storing under an inert gas blanket in a desiccator.

Specification

Item	Specification
Appearance	White to off-white crystalline solid or powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Assay (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.