Ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
C18H17NO3
ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
Consulting for Ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
Our experts support you with application, dosage, and compliance.
Identification
- CAS Number
- 163520-33-0
- EC Number
- 443-870-0
- UN Number
- 3077
- Index Number
- 607-694-00-X
- PubChem CID
- 6451155
Physical-chemical properties
- Molecular Formula
- C18H17NO3
- Molar Mass
- 295.30 g/mol
- IUPAC Name
- ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
Chemical Identifiers
- InChI
- InChI=1S/C18H17NO3/c1-2-21-17(20)16-13-18(22-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3
- InChI Key
- MWKVXOJATACCCH-UHFFFAOYSA-N
Overview
Ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate (CAS 163520-33-0) is a heterocyclic organic compound featuring an oxazole ring with diphenyl substituents and ethyl ester functionality. This specialized chemical compound belongs to the oxazole family of heterocycles, characterized by its distinctive five-membered ring containing both nitrogen and oxygen atoms. The molecule's structure incorporates two phenyl groups attached to the C5 position of the oxazole ring, along with an ethyl carboxylate group at the C3 position, giving it unique chemical and physical properties that make it valuable for various industrial applications. The compound exhibits moderate toxicity concerns, classified under Acute Toxicity Category 4 with skin sensitization potential (Skin Sens. 1). Environmental considerations are particularly important, as it carries Aquatic Acute 1 and Aquatic Chronic 1 classifications, indicating significant hazard to aquatic organisms. The GHS07 and GHS09 pictograms reflect these health and environmental concerns, requiring careful handling protocols and appropriate safety measures during storage and use. From a chemical perspective, this oxazole derivative demonstrates stability under normal conditions while maintaining reactivity suitable for synthetic transformations. Unlike simpler aromatic compounds such as 2-methyl-4,6-bis(methylsulfanyl)benzene-1,3-diamine or more complex carbamate structures like 4-chlorobut-2-ynyl N-(3-chlorophenyl)carbamate, this compound offers unique synthetic possibilities due to its heterocyclic framework. Primary industrial applications include its use as an intermediate in pharmaceutical synthesis, particularly in the development of bioactive compounds, as well as in specialty chemical manufacturing and advanced material research. The compound also serves as a building block for more complex heterocyclic structures in medicinal chemistry applications. OYSI provides reliable access to ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate through our established European distribution network, ensuring consistent quality and regulatory compliance for industrial customers.
Safety & Classification
Acute Tox. 4 *; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
Skin Contact
Measures if substance contacts the skin
First Aid Actions
- +P302IF ON SKIN:
- +P352Wash with plenty of water.
- +P361Take off immediately all contaminated clothing.
- +P313Get medical advice/attention.
Related hazard statements:
Ingestion
Measures if substance is accidentally swallowed
First Aid Actions
- +P301IF SWALLOWED:
- +P330Rinse mouth.
- +P331Do NOT induce vomiting.
- +P310Immediately call a POISON CENTER/doctor.
Related hazard statements:
General Measures
Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)
First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | Isoxadifen-ethyl (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate?
Ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate is an organic chemical compound with the molecular formula C18H17NO3 and CAS number 163520-33-0. This oxazole derivative features a five-membered heterocyclic ring containing nitrogen and oxygen atoms, substituted with two phenyl groups and an ethyl carboxylate group. With a molecular weight of 295.3 g/mol, it belongs to the class of heterocyclic compounds commonly used in pharmaceutical and chemical research applications.
What are the physicochemical properties of ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate?
Ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate is a solid organic compound at room temperature with a molecular weight of 295.3 g/mol. As an ethyl ester derivative of an oxazole carboxylic acid, it typically exhibits limited water solubility but good solubility in organic solvents such as ethanol, methanol, and dichloromethane. The compound's stability and specific physical characteristics like melting point and appearance may vary depending on purity and storage conditions.
What is ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate used for?
Ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate is primarily used as an intermediate in pharmaceutical research and organic synthesis. This oxazole derivative serves as a building block for developing more complex molecules, particularly in medicinal chemistry applications. It may be utilized in the synthesis of bioactive compounds, drug candidates, or specialized chemical products. The compound's unique structure makes it valuable for researchers working on heterocyclic chemistry and pharmaceutical development projects.
How to handle ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate safely?
Ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate requires careful handling due to its Acute Tox. 4 and Skin Sens. 1 classifications. Always wear appropriate personal protective equipment including nitrile gloves, safety glasses, and lab coats. Work in well-ventilated areas or under fume hoods to avoid inhalation. Prevent skin and eye contact, and avoid ingestion. The compound may cause skin sensitization, so handle with extra caution to prevent dermal exposure and potential allergic reactions.
How to store ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate properly?
Ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate should be stored in tightly sealed containers in a cool, dry, and well-ventilated area away from direct sunlight. Keep the compound at room temperature or below, protected from moisture and incompatible materials. Store away from heat sources, oxidizing agents, and strong acids or bases. Ensure proper labeling with hazard information and maintain inventory records. Given its environmental hazard classification, prevent release to the environment during storage and handling.
What to do in case of contact with ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate?
In case of skin contact with ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate, immediately wash the affected area with plenty of soap and water for at least 15 minutes. For eye contact, rinse thoroughly with clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention. Given the compound's skin sensitization potential, monitor for allergic reactions and consult a physician if symptoms develop.
How to dispose of ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate appropriately?
Ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate must be disposed of through licensed hazardous waste disposal facilities due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1). Do not release to sewers, waterways, or the environment. Collect waste in appropriate containers, properly labeled with contents and hazard information. Contact certified waste management companies for collection and treatment. Follow local, national, and EU regulations for hazardous chemical waste disposal, including waste classification codes.
How to transport ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate?
Ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate is classified as ADR Class 9 (Miscellaneous Dangerous Goods), Packing Group III for transportation. This classification requires appropriate packaging, labeling, and documentation according to ADR regulations. Use UN-approved packaging suitable for Class 9 materials, ensure proper hazard labels are affixed, and complete required transport documentation. The relatively lower hazard level of Packing Group III allows for less stringent transport requirements compared to higher hazard classifications.
Is ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate subject to specific regulations?
Ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate is subject to standard EU chemical regulations including REACH and CLP. The compound is not classified as a Substance of Very High Concern (SVHC), but must comply with classification, labeling, and packaging requirements under CLP regulation. As a chemical with hazardous properties, it requires safety data sheets, proper hazard communication, and adherence to occupational exposure limits where applicable. Import/export may require additional documentation depending on quantities and destinations.
Where to buy ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate in Europe?
Ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides this compound to research institutions, pharmaceutical companies, and chemical manufacturers across Europe. As a professional chemical distributor, OYSI ensures proper handling, storage, and documentation compliance with European regulations. Contact OYSI directly for availability, specifications, and pricing information for your specific research or industrial application requirements.
Services for Ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
Order Ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
Fast delivery across Europe
SDS Service
Request Safety Data Sheet for Ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
Technical Consulting
Application advice for Ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
REACH Safety Data Sheet
REACH Compliance Service
Digital Product Passport
EU-compliant product documentation
ADR Consulting for Ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
Ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate 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.