[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
C21H27NO5
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Identification
- CAS Number
- 203313-25-1
- EC Number
- 606-523-6
- UN Number
- 3077
- Index Number
- 607-711-00-0
- PubChem CID
- 9969573
Physical-chemical properties
- Molecular Formula
- C21H27NO5
- Molar Mass
- 373.40 g/mol
- IUPAC Name
- [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
Chemical Identifiers
- InChI
- InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)
- InChI Key
- CLSVJBIHYWPGQY-UHFFFAOYSA-N
Overview
[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate (CAS 203313-25-1) is a complex spirocyclic organic compound with carbonate ester functionality and reproductive toxicity concerns. This specialized chemical compound represents a sophisticated example of spirocyclic chemistry, featuring a unique azaspiro[4.5]decene core structure substituted with a dimethylphenyl group and functionalized with an ethyl carbonate moiety. With its molecular formula C21H27NO5 and molecular weight of 373.4 g/mol, this substance exhibits considerable structural complexity that contributes to its specific chemical and biological properties. The compound's safety profile requires careful consideration, as it is classified under multiple hazard categories including reproductive toxicity (Repr. 2), specific target organ toxicity (STOT SE 3), and environmental hazards (Aquatic Acute 1, Aquatic Chronic 1). Additional concerns include eye irritation and strong skin sensitization properties, necessitating appropriate handling protocols and personal protective equipment. The GHS08, GHS07, and GHS09 pictograms reflect these health and environmental hazards, while the ADR Class 9 classification indicates miscellaneous dangerous goods requirements for transportation. Industrial applications typically leverage the compound's unique structural features in pharmaceutical research, agrochemical development, and specialty chemical synthesis. Its spirocyclic framework makes it particularly valuable in medicinal chemistry applications where three-dimensional molecular complexity is desired. Unlike simpler aromatic compounds such as 1,4-dichlorobenzene, this molecule's sophisticated architecture enables highly specific biological interactions. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for European technical and research applications requiring high-quality spirocyclic intermediates.
Safety & Classification
Repr. 2; STOT SE 3; Eye Irrit. 2; Skin Sens. 1A; 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
Inhalation
Measures if vapours or dust are inhaled
First Aid Actions
- +P304IF INHALED:
- +P340Remove person to fresh air and keep comfortable for breathing.
- +P311Call a POISON CENTER/doctor.
Related hazard statements:
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:
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +P313Get medical advice/attention.
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 | Spirotetramat (ISO) |
| Marine Pollutant | No |
Frequently Asked Questions
What is [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate is a complex organic chemical compound with CAS number 203313-25-1 and molecular formula C21H27NO5. This spirocyclic compound features a unique azaspiro[4.5]decene core structure with dimethylphenyl and methoxy substituents, combined with an ethyl carbonate functional group. With a molecular weight of 373.4 g/mol, it represents a sophisticated synthetic molecule used in specialized chemical applications.
What are the physicochemical properties of [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
The compound exhibits properties typical of complex organic molecules with its molecular weight of 373.4 g/mol and formula C21H27NO5. The spirocyclic structure with aromatic and aliphatic components suggests moderate lipophilicity and potential crystalline character at room temperature. The presence of methoxy, carbonyl, and carbonate functional groups influences its polarity and solubility characteristics. Specific physical properties such as melting point, boiling point, and exact solubility data require experimental determination due to the compound's specialized nature.
What is [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate used for?
This compound serves as a specialized chemical intermediate in pharmaceutical research and advanced organic synthesis applications. The unique spirocyclic structure makes it valuable for developing bioactive compounds and studying structure-activity relationships in medicinal chemistry. Its complex architecture suggests potential use in creating novel therapeutic agents or as a building block for more complex molecular targets. The compound may also find applications in materials science research where specific molecular geometries are required.
How to safely handle [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
Safe handling requires appropriate personal protective equipment due to its classification as Skin Sens. 1A, Eye Irrit. 2, and STOT SE 3. Wear chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work in well-ventilated areas or use fume hoods to minimize inhalation exposure. The compound's reproductive toxicity classification (Repr. 2) necessitates additional precautions for pregnant workers. Handle with care to prevent spills and ensure proper hygiene practices including thorough handwashing after use.
How to properly store [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
Store the compound in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Given its complex organic structure, maintain storage temperatures below 25°C to prevent degradation. Keep away from incompatible materials such as strong oxidizing agents, acids, and bases. Due to its aquatic toxicity classification (Aquatic Acute 1; Aquatic Chronic 1), ensure secondary containment to prevent environmental release. Label containers clearly and restrict access to trained personnel only.
What to do in case of contact with [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
Immediate action is required for any contact due to the compound's irritant and sensitizing properties. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. If eye contact occurs, rinse immediately with plenty of clean water for 15 minutes and seek medical attention. In case of inhalation, move to fresh air and monitor for respiratory symptoms. For ingestion, do not induce vomiting and seek immediate medical care. Always consult safety data sheets for complete emergency procedures.
How to properly dispose of [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
Disposal must be conducted according to local and national hazardous waste regulations due to the compound's environmental toxicity classification (Aquatic Acute 1; Aquatic Chronic 1). Contact licensed hazardous waste disposal companies for proper treatment and destruction. Never discharge into sewers, water bodies, or soil. Small quantities may require incineration at authorized facilities with appropriate emission controls. Contaminated packaging should also be treated as hazardous waste. Maintain disposal records and certificates for regulatory compliance and traceability.
How to transport [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate?
Transport follows ADR classification as Class 9 (Miscellaneous dangerous goods), Packing Group III, indicating moderate transport hazard. Use appropriate UN-specification packaging designed for Class 9 materials with proper labeling and documentation. Vehicles must carry appropriate emergency equipment and drivers require ADR training certification. Ensure packages are secured to prevent damage during transit and maintain proper temperature conditions. Emergency response information and safety data sheets must accompany shipments for regulatory compliance and emergency preparedness.
Is [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate subject to specific regulations?
The compound is subject to comprehensive chemical regulations under REACH, CLP, and GHS frameworks in Europe. Its classification requires specific hazard labeling with GHS pictograms GHS07, GHS08, and GHS09, plus appropriate hazard and precautionary statements. While not currently listed as SVHC, its reproductive toxicity and environmental hazard classifications trigger reporting obligations for industrial users. Companies must maintain safety data sheets, conduct exposure assessments, and implement appropriate risk management measures according to REACH requirements and national chemical safety legislation.
Where to buy [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate in Europe?
OYSI is a trusted European distributor offering high-quality [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate for research and industrial applications. As a specialized chemical distributor, OYSI provides comprehensive regulatory documentation, safety data sheets, and technical support throughout Europe. Our supply chain ensures product quality and regulatory compliance for professional customers. Contact OYSI directly for availability, specifications, and pricing information tailored to your specific requirements and application needs.
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[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate 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.