7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

C13H25NO2

CAS79185-77-6
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
79185-77-6
EC Number
417-140-7
UN Number
3082
Index Number
613-219-00-7
PubChem CID
3664989

Physical-chemical properties

Molecular Formula
C13H25NO2
Molar Mass
227.34 g/mol
IUPAC Name
7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole

Chemical Identifiers

InChI
InChI=1S/C13H25NO2/c1-6-13-7-15-11(9(2)3)14(13)12(10(4)5)16-8-13/h9-12H,6-8H2,1-5H3
InChI Key
ZFNYRUONSKXJOW-UHFFFAOYSA-N

Overview

7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole (CAS 79185-77-6) is a bicyclic heterocyclic compound with dual oxazole ring systems and branched alkyl substituents. This specialized organic compound features a unique fused oxazolo[3,4-c]oxazole framework, representing an advanced heterocyclic structure with significant potential in chemical synthesis applications. The molecular formula C13H25NO2 reflects its substantial aliphatic character, with ethyl and isopropyl substituents contributing to its distinctive chemical behavior and solubility profile. With a molecular weight of 227.34 g/mol, this compound exhibits moderate molecular complexity while maintaining reasonable synthetic accessibility. The compound is classified under GHS hazard categories as Skin Irritant Category 2 and Aquatic Chronic Category 2, requiring appropriate handling precautions including personal protective equipment and environmental containment measures. The Warning signal word and associated GHS07 and GHS09 pictograms indicate moderate hazard levels that are manageable with proper industrial safety protocols. Transportation falls under ADR Class 9, designating it as a miscellaneous dangerous substance requiring standard chemical shipping procedures. Primary industrial applications include its use as an advanced intermediate in pharmaceutical synthesis, particularly in the development of heterocyclic drug candidates, and as a specialty reagent in materials science research. The compound also serves as a building block for complex organic synthesis projects requiring bicyclic oxazole functionalities. Its structural complexity makes it valuable for researchers working with related compounds such as 3,3-bis(methoxymethyl)-2,6-dimethylheptane in comparative synthetic studies. OYSI maintains reliable supply chains for this specialized heterocyclic compound, supporting European chemical manufacturers and research institutions with consistent quality and regulatory compliance documentation.

Safety & Classification

Warning
Classification:

Skin Irrit. 2; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H315

Causes skin irritation.

H411

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

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:

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 Number3082
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name7a-Ethyl-3,5-bis(1-methylethyl)-2,3,4,5-tetrahydrooxazolo[3,4-c]-2,3,4,5-tetrahydrooxazol
Marine PollutantNo

Frequently Asked Questions

What is 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?

7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is a complex organic compound with the molecular formula C13H25NO2 and CAS number 79185-77-6. This bicyclic heterocyclic compound features a fused oxazole ring system with ethyl and isopropyl substituents. With a molecular weight of 227.34 g/mol, it belongs to the class of nitrogen-containing heterocycles and exhibits specific chemical properties due to its unique structural arrangement.

What are the physicochemical properties of 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?

7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is an organic compound with a molecular weight of 227.34 g/mol and formula C13H25NO2. As a heterocyclic compound containing nitrogen and oxygen atoms in its ring structure, it exhibits typical properties of oxazole derivatives. The presence of alkyl substituents (ethyl and isopropyl groups) influences its solubility characteristics and physical state, though specific data on appearance, odor, and solubility require experimental determination.

What is 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole used for?

7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is typically used as an intermediate in pharmaceutical synthesis and specialized chemical manufacturing. Oxazole derivatives like this compound often serve as building blocks in the development of bioactive molecules and pharmaceutical compounds. Its unique bicyclic structure makes it valuable for creating complex molecular architectures in medicinal chemistry and research applications where nitrogen-containing heterocycles are required.

How to handle 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole safely?

7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole requires careful handling due to its skin irritation properties (Skin Irrit. 2). Wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work in well-ventilated areas or under fume extraction systems. The Warning signal word indicates moderate hazards, so follow standard laboratory safety protocols and ensure proper training before handling.

How to store 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole correctly?

7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole should be stored in a cool, dry, well-ventilated area away from incompatible materials. Keep containers tightly sealed to prevent contamination and degradation. Store away from sources of ignition and direct sunlight. Given its aquatic chronic toxicity classification, ensure proper containment to prevent environmental release. Follow local regulations for chemical storage and maintain proper inventory records.

What to do in case of contact with 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?

Immediate action is required if contact occurs with 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole due to its skin irritation properties. In case of skin contact, immediately remove contaminated clothing and wash the affected area with plenty of soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for 15 minutes while holding eyelids open. Seek medical attention if irritation persists or if large amounts were involved.

How to dispose of 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole properly?

7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole must be disposed of according to local and national hazardous waste regulations. Due to its Aquatic Chronic 2 classification, prevent release to the environment. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Do not pour down drains or dispose of with regular waste. Contaminated containers should also be treated as hazardous waste and disposed of through appropriate channels.

How to transport 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole?

7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III. This indicates it poses relatively lower transport risks but still requires proper packaging and documentation. Use appropriate UN-specification packaging, ensure proper labeling with GHS07 and GHS09 pictograms, and include necessary transport documents. Follow ADR regulations for Class 9 substances and ensure drivers have appropriate training for hazardous materials transport.

Is 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole subject to specific regulations?

7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is subject to standard EU chemical regulations including REACH and CLP requirements. It is not classified as a Substance of Very High Concern (SVHC). Suppliers must provide safety data sheets and ensure proper classification and labeling according to CLP regulation. Users must follow occupational exposure limits and environmental protection measures. Registration obligations under REACH may apply depending on quantities manufactured or imported.

Where to buy 7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole in Europe?

7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to pharmaceutical, research, and industrial customers across Europe with proper documentation and regulatory compliance. As a professional chemical distributor, OYSI ensures product quality, appropriate packaging, and complete safety documentation including safety data sheets and certificates of analysis for this specialized oxazole derivative.

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7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole 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.