(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
C11H16N2O2
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Identification
- CAS Number
- 92-13-7
- EC Number
- 202-128-4
- UN Number
- 1544
- Index Number
- 614-016-00-6
- PubChem CID
- 5910
Physical-chemical properties
- Molecular Formula
- C11H16N2O2
- Molar Mass
- 208.26 g/mol
- IUPAC Name
- (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
Chemical Identifiers
- InChI
- InChI=1S/C11H16N2O2/c1-3-10-8(6-15-11(10)14)4-9-5-12-7-13(9)2/h5,7-8,10H,3-4,6H2,1-2H3/t8-,10-/m0/s1
- InChI Key
- QCHFTSOMWOSFHM-WPRPVWTQSA-N
Overview
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one (CAS 92-13-7) is a heterocyclic organic compound featuring an oxolanone ring structure with imidazole functionality. This specialized chemical compound, with molecular formula C11H16N2O2 and molecular weight 208.26 g/mol, represents an important intermediate in pharmaceutical and fine chemical synthesis. The molecule combines a five-membered lactone ring (oxolan-2-one) with an imidazole substituent, creating unique reactivity patterns that make it valuable for various synthetic applications. Its stereochemical configuration (3S,4R) provides specific spatial arrangement crucial for many applications requiring chirality control. The compound exhibits significant toxicological properties, classified under GHS06 pictogram with "Danger" signal word due to its Acute Toxicity Category 2 classification. This high toxicity profile necessitates stringent handling protocols and specialized storage conditions. Transportation falls under ADR Class 6.1 (toxic substances), requiring appropriate documentation and safety measures during logistics operations. Safety considerations are paramount when working with this substance, demanding proper personal protective equipment, adequate ventilation systems, and emergency response procedures. Its chemical structure shares certain characteristics with other pharmaceutical intermediates, though it differs significantly from compounds like [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate in terms of ring systems and biological activity profiles. Primary industrial applications include pharmaceutical intermediate synthesis, particularly in the development of imidazole-based therapeutics, specialty chemical manufacturing for agrochemical production, and research applications in medicinal chemistry. The compound's unique structural features make it particularly valuable for creating complex molecular architectures in drug discovery programs. OYSI maintains reliable supply chains for this specialized compound, ensuring consistent availability for European industrial customers requiring high-quality pharmaceutical intermediates.
Safety & Classification
Acute Tox. 2 *; Acute Tox. 2 *
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:
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 | 1544 |
| ADR Class | 6.1 |
| Packing Group | II |
| Tunnel Code | D/E |
| Proper Shipping Name | Pilocarpin, fest |
| Marine Pollutant | No |
Frequently Asked Questions
What is (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one?
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one is an organic compound with the molecular formula C11H16N2O2 and CAS number 92-13-7. This stereoisomerically defined molecule contains both an oxolane (tetrahydrofuran) ring and an imidazole moiety, giving it a molecular weight of 208.26 g/mol. It is classified as highly toxic and requires careful handling due to its acute toxicity properties.
What are the physicochemical properties of (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one?
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one exhibits specific physicochemical characteristics determined by its heterocyclic structure containing both oxygen and nitrogen atoms. The compound has a molecular weight of 208.26 g/mol and molecular formula C11H16N2O2. The presence of the imidazole ring typically confers some degree of water solubility, while the oxolane ring and ethyl substituent contribute to its organic solvent compatibility. Detailed physical properties should be confirmed through technical documentation.
What is (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one used for?
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one serves as a specialized chemical intermediate in pharmaceutical and fine chemical synthesis. Its unique stereochemistry and functional groups make it valuable for developing complex organic molecules. The compound may be used in research applications, drug discovery programs, or as a building block for more complex pharmaceutical compounds. Its specific applications depend on the synthetic requirements and the target molecules being developed.
How to handle (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one safely?
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one requires strict safety measures due to its Acute Tox. 2 classification and GHS06 pictogram. Personnel must wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to prevent inhalation exposure. Avoid skin contact, ingestion, and inhalation. Emergency procedures and safety data sheets should be readily available.
How to store (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one correctly?
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one must be stored in a secure, well-ventilated area away from incompatible materials. Due to its high toxicity classification, storage should be in a designated toxic substances area with restricted access. Containers should be tightly sealed and properly labeled. Storage temperature and conditions should follow manufacturer specifications. Keep away from heat sources, oxidizing agents, and incompatible chemicals to prevent degradation or dangerous reactions.
What to do in case of contact with (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one?
Immediate first aid measures are critical due to the compound's Acute Tox. 2 classification. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water. In case of eye contact, flush immediately with water for at least 15 minutes. If inhaled, move person to fresh air immediately. For ingestion, do not induce vomiting and seek immediate medical attention. Contact poison control center and provide safety data sheet to medical personnel.
How to dispose of (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one appropriately?
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one requires disposal as hazardous waste due to its acute toxicity classification. Disposal must comply with local, national, and European waste regulations. The compound should be collected in appropriate containers and transferred to licensed hazardous waste disposal facilities. Never dispose of through regular waste streams or sewers. Incineration at authorized facilities may be required, following proper environmental protection protocols and obtaining necessary permits.
How to transport (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one?
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one is classified under ADR Class 6.1 (toxic substances), Packing Group II, indicating high toxicity during transport. Transportation requires appropriate UN-specification packaging, proper labeling with GHS06 pictogram, and compliance with dangerous goods regulations. Drivers must have ADR certification, and vehicles need appropriate placarding. Transport documents must include proper shipping names, hazard classes, and emergency response information. Only authorized carriers should handle this material.
Is (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one subject to specific regulations?
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one is subject to European chemical regulations including REACH and CLP. Under CLP, it carries Acute Tox. 2 classification with danger signal word and GHS06 pictogram. The compound is not currently listed as SVHC (Substance of Very High Concern). Users must comply with safety data sheet requirements, proper labeling, and workplace exposure limits. Registration under REACH may be required depending on quantities imported or manufactured.
Where to buy (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one in Europe?
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to qualified industrial and research customers with proper handling capabilities for toxic materials. As a professional chemical supplier, OYSI ensures compliance with European regulations and provides necessary documentation including safety data sheets. Contact OYSI directly for availability, specifications, and purchasing requirements for this controlled substance.
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ADR Consulting for (3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one
(3S,4R)-3-ethyl-4-[(3-methylimidazol-4-yl)methyl]oxolan-2-one 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.