Description

1-Cyclohexene-1-Carboxylic Acid, 3,4,5-Trihydroxy-6-Methoxy-, Methyl Ester, (3S,4S,5S,6S)- (9Ci) is a high-purity, stereochemically defined synthetic intermediate of significant interest in advanced organic synthesis. This compound matters for its role as a key chiral building block in the development of complex molecules, particularly in pharmaceutical research and fine chemical manufacturing. It is primarily needed by R&D chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries seeking to introduce a specific, multi-functionalized cyclohexene scaffold into their target compounds.

Application

• Pharmaceutical Intermediate: Serves as a critical chiral precursor in the synthesis of novel active pharmaceutical ingredients (APIs), especially for candidates with complex polycyclic or glycosidic structures.
• Agrochemical Research: Used in the development of new herbicides, fungicides, or plant growth regulators where the specific stereochemistry and functional groups influence biological activity.
• Fine Chemical Synthesis: Acts as a versatile building block for creating specialty chemicals, flavors, fragrances, and advanced materials requiring precise molecular architecture.
• Academic & Institutional R&D: Employed in university and government laboratories for methodological studies in asymmetric synthesis, natural product total synthesis, and medicinal chemistry projects.
• Process Chemistry Development: Utilized for scaling up synthetic routes from laboratory to pilot plant scale, where a reliable source of high-purity, well-characterized intermediates is essential.
• Bioconjugate Chemistry: The carboxylic acid methyl ester and hydroxyl groups provide handles for further chemical modification, making it suitable for creating labeled probes or drug-linker complexes.

Basic Information

Product Name	1-Cyclohexene-1-Carboxylic Acid, 3,4,5-Trihydroxy-6-Methoxy-, Methyl Ester, (3S,4S,5S,6S)- (9Ci)
CAS No.	811443-38-6
Molecular Formula	C9H14O6
Molecular Weight	218.20 g/mol
Synonyms	(3S,4S,5S,6S)-Methyl 3,4,5-trihydroxy-6-methoxy-1-cyclohexene-1-carboxylate; Methyl (1S,3S,4S,5S)-3,4,5-trihydroxy-6-methoxy-1-cyclohexene-1-carboxylate; 1-Cyclohexenecarboxylic acid, 3,4,5-trihydroxy-6-methoxy-, methyl ester, (3S,4S,5S,6S)-; Methyl 3,4,5-trihydroxy-6-methoxycyclohex-1-enecarboxylate (stereospecific isomer)
EINECS	Contact for details

Quality Control

Our production of 1-Cyclohexene-1-Carboxylic Acid, 3,4,5-Trihydroxy-6-Methoxy-, Methyl Ester, (3S,4S,5S,6S)- (9Ci) adheres to stringent quality protocols to ensure batch-to-batch consistency and high purity suitable for research and development applications. Each lot is supported by a comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles. We employ advanced analytical techniques including HPLC, GC, NMR, and chiral analysis to verify the compound meets exacting specifications. Certificates of Analysis (COA) are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after opening to prevent absorption of atmospheric moisture, which may affect stability and purity. For long-term storage, consider using desiccants.

Specification

Item	Specification
Appearance	White to off-white powder or crystalline solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Chiral Purity	≥ 98.0% ee
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.1%

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