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cis-2-[2-Oxo-2-(3-Trifluoromethylphenyl)Ethyl]Cyclohexane-1-Carboxylic Acid CAS NO 736136-51-9
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CAS No.:736136-51-9
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
cis-2-[2-Oxo-2-(3-Trifluoromethylphenyl)Ethyl]Cyclohexane-1-Carboxylic Acid is a high-value, synthetically versatile chiral intermediate featuring a cyclohexane carboxylic acid core and a trifluoromethylphenyl ketone moiety. This compound is critical for research and development in advanced organic synthesis, where its defined stereochemistry and functional groups enable the construction of complex molecular architectures. It is primarily sought by pharmaceutical and agrochemical R&D teams for use as a key building block in the development of new active ingredients, particularly where the trifluoromethyl group is desired for its metabolic stability and lipophilicity.
Application
- Pharmaceutical Intermediate: A key chiral synthon for the research and development of novel active pharmaceutical ingredients (APIs), especially in central nervous system (CNS) and anti-inflammatory drug candidates.
- Agrochemical Synthesis: Used in the discovery and production of advanced herbicides and fungicides, where the trifluoromethyl group enhances biological activity and environmental persistence.
- Ligand and Catalyst Development: Serves as a precursor for chiral ligands and organocatalysts used in asymmetric synthesis to control stereoselectivity.
- Material Science Research: Employed in the synthesis of specialty monomers and polymers with tailored properties for advanced materials.
- Chemical Biology Probes: Utilized as a building block for creating molecular probes to study enzyme function and biological pathways.
- Custom Synthesis & Contract Manufacturing: A critical starting material for fine chemical manufacturers offering bespoke synthesis services to the life sciences industry.
Basic Information
| Product Name | cis-2-[2-Oxo-2-(3-Trifluoromethylphenyl)Ethyl]Cyclohexane-1-Carboxylic Acid |
| CAS No. | 736136-51-9 |
| Molecular Formula | C₁₆H₁₇F₃O₃ |
| Molecular Weight | 314.30 g/mol |
| Synonyms | 2-[(3-(Trifluoromethyl)benzoyl)methyl]cyclohexanecarboxylic acid (cis-); cis-2-[(3-Trifluoromethylbenzoyl)methyl]cyclohexanecarboxylic Acid; (1R,2S)-rel-2-[2-Oxo-2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxylic Acid; Cyclohexanecarboxylic acid, 2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]-, cis-; 736136-51-9; cis-2-(2-Oxo-2-(m-trifluoromethylphenyl)ethyl)cyclohexane-1-carboxylic acid |
| EINECS | Contact for details |
Quality Control
Our cis-2-[2-Oxo-2-(3-Trifluoromethylphenyl)Ethyl]Cyclohexane-1-Carboxylic Acid is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing, including chiral purity verification, to ensure it meets the high standards required for research and process development. Certificates of Analysis (COA) detailing identity, purity, and impurity profiles are provided with each shipment and are available upon request.
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). Keep away from strong acids and organic solvents. For long-term storage, consider inert gas purging to maintain stability.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline powder |
| Identification (IR) | Conforms to structure |
| Assay (HPLC) | ≥ 97.0% |
| Chiral Purity (Chiral HPLC) | ≥ 98.0% cis-isomer |
| Related Substances (HPLC) | Total impurities ≤ 3.0% Any single unknown impurity ≤ 1.0% |
| Loss on Drying | ≤ 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.
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