Description

1,3-Cyclohexadiene-1-Carboxylic Acid, 4-(1,1-Dimethylethyl)-5,6-Dihydroxy-, (5S,6R)- (9Ci) is a high-purity, stereochemically defined dihydroxy carboxylic acid derivative that serves as a critical chiral building block and synthetic intermediate. Its unique fused-ring structure with multiple functional groups makes it valuable for constructing complex molecular architectures with precise stereochemistry. This compound is primarily sought after by research institutions and pharmaceutical development teams for applications in medicinal chemistry, asymmetric synthesis, and the development of novel active pharmaceutical ingredients (APIs).

Application

• Pharmaceutical Intermediate: A key chiral synthon in the research and development of new therapeutic agents, particularly for complex small-molecule drugs.
• Asymmetric Synthesis: Utilized as a building block in stereoselective reactions to create enantiomerically pure compounds for agrochemical and fine chemical applications.
• Medicinal Chemistry Research: Employed in structure-activity relationship (SAR) studies and lead optimization due to its rigid, functionalized core.
• Ligand and Catalyst Development: Serves as a precursor for synthesizing novel chiral ligands and organocatalysts used in catalytic asymmetric transformations.
• Academic & Industrial R&D: Used in exploratory organic synthesis for developing new methodologies and constructing natural product analogs.
• Fine Chemical Production: A potential intermediate in the multi-step synthesis of specialty chemicals, flavors, and fragrances requiring specific stereochemistry.

Basic Information

Product Name	1,3-Cyclohexadiene-1-Carboxylic Acid, 4-(1,1-Dimethylethyl)-5,6-Dihydroxy-, (5S,6R)- (9Ci)
CAS No.	775267-87-3
Molecular Formula	C11H16O4
Molecular Weight	212.24 g/mol
Synonyms	(5S,6R)-4-(tert-Butyl)-5,6-dihydroxy-1,3-cyclohexadiene-1-carboxylic acid; 4-tert-Butyl-5,6-dihydroxy-1,3-cyclohexadiene-1-carboxylic acid (5S,6R)-; 775267-87-3; 4-(1,1-Dimethylethyl)-5,6-dihydroxy-1,3-cyclohexadiene-1-carboxylic acid, (5S,6R)-; tert-Butyl dihydroxy cyclohexadiene carboxylic acid
EINECS	Contact for details

Quality Control

Every batch of 1,3-Cyclohexadiene-1-Carboxylic Acid, 4-(1,1-Dimethylethyl)-5,6-Dihydroxy-, (5S,6R)- (9Ci) is manufactured and tested under a strict quality management system. We employ advanced analytical techniques including HPLC, GC, and NMR to ensure identity, purity, and stereochemical integrity. A comprehensive Certificate of Analysis (COA) detailing all test results is provided with each shipment 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, and well-ventilated place at a controlled room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed after opening to minimize exposure to atmospheric moisture. For long-term storage, consider using desiccants or an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Enantiomeric Excess (Chiral HPLC)	≥ 98.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.