Description

Cyclohexaneethanol, 5-(1,1-Dimethylethyl)-2-Hydroxy-, (1R,2R,5R)-Rel- (9Ci) is a high-purity, stereochemically defined chiral intermediate of significant value in advanced organic synthesis. Its precise stereochemistry and functional groups make it a critical building block for constructing complex molecules with specific three-dimensional architectures. This compound is essential for research and development chemists in the pharmaceutical and fine chemical industries, particularly for the synthesis of active pharmaceutical ingredients (APIs) and specialty agrochemicals where stereochemical purity is paramount.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the research and development of novel Active Pharmaceutical Ingredients (APIs), especially in therapeutic areas requiring high stereoselectivity.
• Asymmetric Synthesis: Serves as a versatile building block in catalytic asymmetric reactions to introduce defined stereocenters into complex target molecules.
• Agrochemical Synthesis: Used in the development of advanced, stereospecific pesticides and herbicides where biological activity is enantiomer-dependent.
• Ligand and Catalyst Development: Acts as a precursor for synthesizing chiral ligands and organocatalysts used in enantioselective transformations.
• Fine Chemical Production: Employed in the custom synthesis of high-value specialty chemicals, flavors, and fragrances requiring specific isomeric forms.
• Academic and Industrial R&D: A valuable reference standard and starting material for methodological studies in synthetic organic chemistry.

Basic Information

Product Name	Cyclohexaneethanol, 5-(1,1-Dimethylethyl)-2-Hydroxy-, (1R,2R,5R)-Rel- (9Ci)
CAS No.	586977-46-0
Molecular Formula	C₁₄H₂₈O₂
Molecular Weight	228.37 g/mol
Synonyms	(1R,2R,5R)-5-tert-Butyl-2-hydroxycyclohexaneethanol; rel-(1R,2R,5R)-5-(tert-Butyl)-2-hydroxycyclohexaneethanol; 5-tert-Butyl-2-hydroxycyclohexaneethanol (rel-(1R,2R,5R)-isomer); (1R,2R,5R)-rel-5-tert-Butyl-2-hydroxycyclohexylethanol; Chiral tert-butyl cyclohexanol derivative; CAS 586977-46-0
EINECS	Contact for details

Quality Control

Our production of this chiral intermediate adheres to strict quality control protocols to ensure batch-to-batch consistency and high stereochemical purity, critical for sensitive synthetic applications. Each lot is characterized using advanced analytical techniques including Chiral HPLC, GC, and NMR to confirm identity, enantiomeric excess (ee), and chemical purity. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment to support your quality assurance and regulatory documentation needs.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive); ensure containers are sealed tightly after each use to prevent degradation from atmospheric moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to reference spectrum
Assay (HPLC)	≥ 98.0%
Enantiomeric Excess (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.