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Ethyl 1-Benzyl-5,5-Difluoro-1,2,5,6-Tetrahydropyridine-3-Carboxylate CAS NO 1373503-79-7
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CAS No.:1373503-79-7
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
Ethyl 1-Benzyl-5,5-Difluoro-1,2,5,6-Tetrahydropyridine-3-Carboxylate is a high-value, fluorinated heterocyclic building block designed for advanced synthetic chemistry. This compound is critical for medicinal chemistry research and development, offering a versatile scaffold for creating novel bioactive molecules. It is primarily utilized by pharmaceutical R&D teams and fine chemical manufacturers seeking to incorporate difluorinated tetrahydropyridine motifs into new drug candidates and agrochemicals.
Application
- Pharmaceutical Intermediate: A key building block in the synthesis of active pharmaceutical ingredients (APIs), particularly for candidates targeting central nervous system (CNS) disorders, inflammation, and metabolic diseases.
- Medicinal Chemistry Research: Used extensively in hit-to-lead and lead optimization campaigns to explore structure-activity relationships (SAR) due to its fluorinated and benzyl-substituted pyridine core.
- Agrochemical Synthesis: Serves as a precursor for developing novel herbicides, fungicides, and insecticides where the difluoro moiety can enhance metabolic stability and bioavailability.
- Chemical Biology Probes: Employed in the creation of molecular probes and tool compounds for studying enzyme mechanisms and biological pathways.
- Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for the production of bespoke compounds and small-scale GMP batches for clinical trials.
- Academic Research: Used in university and institutional labs for methodological development in organic synthesis and fluorine chemistry.
Basic Information
| Item | Details |
|---|---|
| Product Name | Ethyl 1-Benzyl-5,5-Difluoro-1,2,5,6-Tetrahydropyridine-3-Carboxylate |
| CAS No. | 1373503-79-7 |
| Molecular Formula | C15H17F2NO2 |
| Molecular Weight | 281.30 g/mol |
| Synonyms | 1-Benzyl-5,5-difluoro-1,2,5,6-tetrahydropyridine-3-carboxylic acid ethyl ester; Ethyl 1-benzyl-5,5-difluoro-3,6-dihydro-2H-pyridine-3-carboxylate; 1-Benzyl-5,5-difluoro-3,6-dihydro-2H-pyridine-3-carboxylic Acid Ethyl Ester; 3-Carbethoxy-1-benzyl-5,5-difluoro-1,2,5,6-tetrahydropyridine; 1373503-79-7; 1-Benzyl-5,5-difluoro-1,2,5,6-tetrahydropyridine-3-carboxylate ethyl ester |
| EINECS | Contact for details |
Quality Control
Our Ethyl 1-Benzyl-5,5-Difluoro-1,2,5,6-Tetrahydropyridine-3-Carboxylate is produced under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC, GC, NMR, and MS, to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing all specifications are provided with every shipment. We support development projects with custom purity grades and analytical method development 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 (15-25°C). Keep away from incompatible materials such as strong bases and fluorides. For long-term storage, consider storing under an inert atmosphere to maximize stability.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white solid |
| Identification (HPLC/MS) | Conforms |
| Identification (NMR) | Conforms |
| Purity (HPLC) | ≥97.0% |
| Water Content (KF) | ≤0.5% |
| Residue on Ignition | ≤0.1% |
| Single Unknown Impurity (HPLC) | ≤1.0% |
| Total Impurities (HPLC) | ≤3.0% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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Each batch undergoes strict QC, accompanied by COA, MSDS, and full compliance with international standards.
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