1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
C24H22F5N5O2S
Consulting for 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
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Identification
- CAS Number
- 1003318-67-9
- UN Number
- 3077
- Index Number
- 613-332-00-1
- PubChem CID
- 56945145
Physical-chemical properties
- Molecular Formula
- C24H22F5N5O2S
- Molar Mass
- 539.50 g/mol
- IUPAC Name
- 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
Chemical Identifiers
- InChI
- InChI=1S/C24H22F5N5O2S/c1-13-9-20(24(27,28)29)31-34(13)11-21(35)33-7-5-14(6-8-33)23-30-18(12-37-23)17-10-19(36-32-17)22-15(25)3-2-4-16(22)26/h2-4,9,12,14,19H,5-8,10-11H2,1H3
- InChI Key
- IAQLCKZJGNTRDO-UHFFFAOYSA-N
Overview
1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone (CAS 1003318-67-9) is a complex heterocyclic compound featuring multiple fluorinated aromatic rings with specialized pharmaceutical applications. This sophisticated organic molecule represents a multi-ring heterocyclic system incorporating several distinct pharmacologically active moieties. The compound's structure features a central piperidine ring connected to both an oxazoline-thiazole framework and a trifluoromethyl pyrazole unit, with strategic fluorine substitutions on the phenyl ring enhancing its biological activity and metabolic stability. The molecular formula C24H22F5N5O2S reflects its complex architecture, with a molecular weight of 539.5 g/mol positioning it within the typical range for advanced pharmaceutical intermediates. From a safety perspective, this compound is classified under GHS pictogram GHS09 with a "Warning" signal word, indicating its potential environmental impact. The substance carries an Aquatic Chronic 1 hazard classification, requiring careful handling to prevent environmental contamination. Transportation falls under ADR Class 9, designating it as a miscellaneous dangerous substance requiring appropriate packaging and documentation protocols. The compound finds primary application in pharmaceutical research and development, particularly in the synthesis of novel therapeutic agents targeting specific biological pathways. Its unique structural features make it valuable for medicinal chemistry programs focused on developing compounds with enhanced selectivity and reduced side effects. Unlike simpler heterocyclic compounds such as 3,6-bis(2-chlorophenyl)-1,2,4,5-tetrazine, this molecule's multiple ring systems provide opportunities for fine-tuning biological activity through structure-activity relationship studies. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for European research institutions and pharmaceutical companies requiring high-quality chemical intermediates for their development programs.
Safety & Classification
Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Very toxic to aquatic life with long lasting effects.
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Oxathiapiprolin (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone is a complex organic compound with molecular formula C24H22F5N5O2S and CAS number 1003318-67-9. This fluorinated heterocyclic compound contains multiple ring systems including oxazole, thiazole, piperidine, and pyrazole moieties. With a molecular weight of 539.5 g/mol, it features five fluorine atoms and represents a sophisticated pharmaceutical or research chemical with potential biological activity.
What are the physicochemical properties of 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
This compound exhibits properties typical of fluorinated heterocyclic molecules with a molecular weight of 539.5 g/mol and formula C24H22F5N5O2S. The presence of multiple fluorine atoms and heterocyclic rings suggests moderate to high lipophilicity. The compound likely exists as a solid at room temperature due to its molecular complexity and intermolecular interactions. Specific physical properties such as melting point, solubility, and appearance would require experimental determination or supplier specifications.
What is 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone used for?
This compound is primarily used in pharmaceutical research and development due to its complex heterocyclic structure containing bioactive pharmacophores. The presence of oxazole, thiazole, and pyrazole rings suggests potential applications in medicinal chemistry, particularly in drug discovery programs. It may serve as an intermediate in pharmaceutical synthesis, a research tool for biological studies, or as a reference standard in analytical laboratories. Its specific fluorine substitution pattern makes it valuable for structure-activity relationship studies.
How to handle 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone safely?
Safe handling requires standard laboratory protective equipment including safety glasses, chemical-resistant gloves, and lab coat. Work in well-ventilated areas or under fume hood to prevent inhalation exposure. Avoid skin and eye contact, and wash hands thoroughly after handling. Given its classification as Aquatic Chronic 1, prevent environmental release. Use appropriate analytical balances for weighing small quantities and ensure proper labeling of containers. Follow institutional chemical hygiene protocols and consult the safety data sheet for specific handling requirements.
How to store 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone correctly?
Store this compound in a cool, dry place away from direct sunlight and heat sources in tightly sealed containers. As a complex organic molecule, it should be protected from moisture, air, and extreme temperatures to prevent degradation. Use appropriate chemical storage areas with proper ventilation and secondary containment. Keep away from incompatible materials such as strong oxidizing agents. Maintain proper inventory records and ensure containers are properly labeled with hazard information including the GHS09 pictogram.
What to do in case of contact with 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
In case of skin contact, immediately remove contaminated clothing and wash affected area with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15-20 minutes and remove contact lenses if present. If inhaled, move to fresh air and seek medical attention if breathing difficulties occur. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures and contact emergency services if serious exposure occurs.
How to dispose of 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone appropriately?
Disposal must comply with local, national, and EU waste regulations due to its Aquatic Chronic 1 classification. Contact licensed chemical waste disposal companies for proper handling and destruction. Do not dispose of down drains, sewers, or into the environment. Small laboratory quantities may require incineration at authorized high-temperature facilities. Contaminated packaging should be treated as chemical waste. Maintain waste disposal records and follow institutional waste management protocols. Consider waste minimization strategies to reduce disposal requirements.
How to transport 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone?
This compound is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III, indicating lower risk during transport. Use appropriate UN-specification packaging designed for Class 9 materials. Ensure proper documentation including transport documents and safety data sheets. Packages must display correct hazard labels and markings according to ADR regulations. Transport should be handled by trained personnel familiar with dangerous goods regulations. Avoid extreme temperatures during transit and ensure secure packaging to prevent spillage or container damage.
Is 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone subject to specific regulations?
This compound is subject to EU CLP regulation requiring GHS09 pictogram and Warning signal word due to its Aquatic Chronic 1 classification. It must be registered under REACH if manufactured or imported above threshold quantities. The compound is not currently listed as a Substance of Very High Concern (SVHC). Companies must provide safety data sheets and appropriate hazard labeling. Export/import may require additional documentation depending on destination countries. Pharmaceutical applications may require additional regulatory compliance depending on intended use and local medicines regulations.
Where to buy 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone in Europe?
OYSI serves as a reliable European distributor for this specialized pharmaceutical intermediate, offering supply solutions across the European market. As a chemical distribution company, OYSI can provide proper documentation, safety data sheets, and regulatory compliance support for European customers. The compound's availability and specifications should be confirmed through direct consultation with OYSI's technical sales team. Other specialized chemical suppliers and pharmaceutical intermediate companies may also stock this material, but verification of quality and regulatory compliance is essential.
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SDS Service
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EU-compliant product documentation
ADR Consulting for 1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.