[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate

C21H27NO5

CAS203313-25-1
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Warning

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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 featuring a carbonate ester functional group and methoxy substitution. This sophisticated organic molecule represents a notable example of spirocyclic chemistry, characterized by its unique azaspiro[4.5]decene core structure combined with dimethylphenyl and ethyl carbonate substituents. With the molecular formula C21H27NO5 and a molecular weight of 373.4 g/mol, this compound demonstrates the complexity achievable in modern synthetic organic chemistry. The presence of both aromatic and aliphatic components, along with nitrogen and oxygen heteroatoms, contributes to its distinctive chemical profile and potential reactivity patterns. From a safety perspective, this substance requires careful handling due to its classification under multiple hazard categories. It carries reproductive toxicity warnings (Repr. 2), specific target organ toxicity (STOT SE 3), and presents risks of eye irritation and skin sensitization. The compound also poses significant environmental concerns with acute and chronic aquatic toxicity classifications, necessitating appropriate containment and disposal protocols. The GHS08, GHS07, and GHS09 pictograms reflect these health and environmental hazards, while its ADR Class 9 classification indicates miscellaneous dangerous goods requirements for transportation. Industrial applications of spirocyclic compounds like this often include pharmaceutical intermediates, specialty chemical synthesis, and advanced materials development. Unlike simpler aromatic compounds such as 1,4-dichlorobenzene, this molecule's complex structure suggests specialized applications in high-value chemical processes. The compound's carbonate functionality may provide useful reactivity for further synthetic transformations or protective group strategies. OYSI maintains technical-grade supplies of this specialized compound for qualified industrial customers across Europe.

Safety & Classification

Warning
Classification:

Repr. 2; STOT SE 3; Eye Irrit. 2; Skin Sens. 1A; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H335

May cause respiratory irritation.

H319

Causes serious eye irritation.

H317

May cause an allergic skin reaction.

H400

Very toxic to aquatic life.

H410

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

Inhalation

Irritant

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

Irritant

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

Irritant

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping NameSpirotetramat (ISO)
Marine PollutantNo

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 compound with the CAS number 203313-25-1 and molecular formula C21H27NO5. This spirocyclic compound features a distinctive spiro[4.5]decane core structure with dimethylphenyl and methoxy substituents. With a molecular weight of 373.4 g/mol, it belongs to a specialized class of nitrogen-containing heterocycles used in pharmaceutical and chemical research 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?

[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate is a solid organic compound at room temperature with a molecular weight of 373.4 g/mol. The compound contains multiple functional groups including carbonate ester, ketone, and aromatic moieties, which influence its solubility characteristics. Its complex structure with both hydrophobic aromatic rings and polar functional groups affects its dissolution behavior in various solvents and its overall stability profile.

What is [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate used for?

[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate is primarily used as a specialized chemical intermediate in pharmaceutical research and development. Its unique spirocyclic structure makes it valuable for medicinal chemistry applications, particularly in the synthesis of bioactive compounds. The compound may also serve as a building block for advanced organic synthesis and as a reference standard in analytical chemistry laboratories focused on pharmaceutical analysis.

How to handle [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate safely?

[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate requires careful handling due to its classification as a reproductive toxicant (Repr. 2), skin sensitizer (Skin Sens. 1A), and eye irritant. Essential PPE includes chemical-resistant gloves, safety goggles, and lab coats. Work in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin and eye contact, and implement strict hygiene measures including thorough handwashing after handling.

How to store [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate correctly?

[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate should be stored in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep containers tightly sealed to prevent moisture absorption and contamination. Due to its reproductive toxicity classification, store in restricted access areas with appropriate warning labels. Separate from incompatible materials and maintain storage conditions that preserve the compound's stability while minimizing exposure risks to personnel.

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 following contact with [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, flush immediately with clean water for 15-20 minutes and remove contact lenses if present. If inhaled, move to fresh air immediately. Seek medical attention for all exposure routes, especially considering the compound's reproductive toxicity classification.

How to dispose of [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate properly?

[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate must be disposed of as hazardous chemical waste through licensed waste management companies. Due to its aquatic toxicity classification (Aquatic Acute 1, Aquatic Chronic 1), prevent environmental release during disposal. Follow local and national regulations for hazardous waste disposal, including proper documentation and labeling. Incineration at appropriate temperature in specialized facilities is typically the preferred disposal method for organic compounds with complex structures.

How to transport [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 classified as ADR Class 9 (Miscellaneous Dangerous Substances), Packing Group III for transportation. This classification requires appropriate packaging, labeling, and documentation according to international dangerous goods regulations. Packages must bear proper shipping names, UN numbers, and hazard labels. Transport vehicles must comply with ADR requirements, and drivers need appropriate training for handling Class 9 substances during transit.

Is [3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate subject to specific regulations?

[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate is subject to REACH regulation for registration and safety data requirements in the EU. While not currently listed as an SVHC (Substance of Very High Concern), its reproductive toxicity classification (Repr. 2) requires compliance with CLP regulation for classification, labeling, and packaging. Users must implement appropriate risk management measures and ensure proper worker protection due to its hazardous properties classification under European chemical 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?

[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate is available through OYSI, a specialized European distributor of technical chemicals and pharmaceutical intermediates. OYSI provides this compound with complete regulatory documentation, safety data sheets, and certificates of analysis to ensure compliance with European regulations. As a professional chemical distributor, OYSI offers reliable supply chains and technical support for customers requiring this specialized spirocyclic compound for research and development applications.

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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.

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Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.