[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
C17H21NO4
Consulting for [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
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Identification
- CAS Number
- 51-34-3
- EC Number
- 200-090-3
- UN Number
- 1544
- Index Number
- 614-014-00-5
- PubChem CID
- 3000322
Physical-chemical properties
- Molecular Formula
- C17H21NO4
- Molar Mass
- 303.35 g/mol
- IUPAC Name
- [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
Chemical Identifiers
- InChI
- InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12-,13-,14+,15-,16+/m1/s1
- InChI Key
- STECJAGHUSJQJN-USLFZFAMSA-N
Overview
[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate (CAS 51-34-3) is a complex tricyclic alkaloid ester with potent biological activity and pharmaceutical significance. This sophisticated organic compound, with molecular formula C17H21NO4 and molecular weight 303.35 g/mol, represents an important class of tropane alkaloid derivatives featuring a unique tricyclic bridge structure combined with a phenylpropanoate ester moiety. The compound exhibits multiple chiral centers, resulting in its specific stereochemical configuration that contributes to its distinct pharmacological properties. The molecule contains both nitrogen and oxygen heteroatoms within its tricyclic framework, along with a hydroxylated phenylpropanoic acid side chain, making it structurally complex and functionally versatile. Safety considerations are paramount when handling this substance, as it carries Acute Toxicity classifications (Acute Tox. 1 and Acute Tox. 2) with the danger signal word and GHS06 pictogram indicating significant toxicological hazards. The compound requires ADR Class 6.1 classification for transport, emphasizing the need for specialized handling protocols and appropriate safety measures during storage, transport, and processing operations. In industrial applications, this compound finds primary use in pharmaceutical research and development, particularly in the synthesis of bioactive molecules and as a reference standard in analytical chemistry. It also serves applications in specialized chemical synthesis where its unique structural features provide valuable synthetic intermediates. Unlike simpler compounds such as ethyl 2-bromoacetate used in basic organic synthesis, this complex alkaloid derivative requires advanced synthetic methodologies and specialized expertise. OYSI maintains reliable supply chains for this specialized pharmaceutical intermediate, ensuring consistent availability for European research institutions and pharmaceutical manufacturers requiring high-quality chemical standards.
Safety & Classification
Acute Tox. 2 *; Acute Tox. 1; 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:
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 | 1544 |
| ADR Class | 6.1 |
| Packing Group | I |
| Tunnel Code | C/E |
| Proper Shipping Name | Hyoscin |
| Marine Pollutant | No |
Frequently Asked Questions
What is [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate?
[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate is a tropane alkaloid derivative commonly known as scopolamine or hyoscine. This compound has the molecular formula C17H21NO4 with a molar mass of 303.35 g/mol and CAS number 51-34-3. It features a complex tricyclic structure with both nitrogen and oxygen heteroatoms, making it a highly bioactive pharmaceutical compound with significant therapeutic applications.
What are the physicochemical properties of [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate?
[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate is typically a white to off-white crystalline powder at room temperature. It has a molecular weight of 303.35 g/mol and is moderately soluble in water and organic solvents like ethanol and chloroform. The compound is generally odorless and stable under normal storage conditions, though it should be protected from light and moisture to maintain its integrity.
What is [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate used for?
[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate is primarily used in pharmaceutical manufacturing as an active ingredient in medications for motion sickness, postoperative nausea, and as a preoperative sedative. It is also utilized in research applications for studying cholinergic systems and neurological processes. Industrial applications include its use as an intermediate in the synthesis of related pharmaceutical compounds and in analytical chemistry as a reference standard.
How to handle [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate safely?
[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate requires extreme caution due to its Acute Toxicity 1 and 2 classifications. Essential PPE includes nitrile gloves, safety goggles, lab coat, and respiratory protection when handling powders. Work in a well-ventilated area or fume hood, avoid skin and eye contact, and never ingest. Wash hands thoroughly after handling and ensure emergency shower and eyewash stations are accessible.
How to store [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate correctly?
[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate must be stored in a locked, secure area due to its high toxicity classification. Keep in original containers in a cool, dry place away from direct light and heat sources. Maintain temperatures between 2-8°C when possible. Store separately from food, beverages, and incompatible materials. Ensure proper labeling and restrict access to authorized personnel only.
What to do in case of contact with [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate?
[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate exposure requires immediate medical attention due to its extreme toxicity. For skin contact, remove contaminated clothing and flush with water for 15 minutes. For eye contact, rinse continuously with water and seek immediate medical care. If inhaled, move to fresh air and monitor breathing. Never induce vomiting if ingested. Contact emergency services immediately and provide the safety data sheet to medical personnel.
How to dispose of [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate appropriately?
[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate waste must be disposed of through licensed hazardous waste contractors due to its high toxicity classification. Never dispose of in regular waste streams or pour down drains. Collect waste in appropriate containers, label clearly, and maintain disposal records. Follow local and national regulations for hazardous pharmaceutical waste. Small quantities may require incineration at authorized facilities under controlled conditions.
How to transport [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate?
[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate is classified as ADR Class 6.1, Packing Group I, indicating it is a highly toxic substance requiring special transport procedures. Use UN-approved packaging with proper hazard labels and documentation. Transport vehicles must carry appropriate emergency equipment and drivers need ADR training. Shipments require dangerous goods declarations and must follow specific routing restrictions to minimize public exposure risks.
Is [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate subject to specific regulations?
[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate is subject to strict pharmaceutical regulations and controlled substance laws in many jurisdictions due to its psychoactive properties. It falls under REACH registration requirements for chemical substances in Europe and CLP classification for hazard communication. The compound is not currently listed as an SVHC substance but may be subject to additional restrictions for import/export and requires proper licensing for handling and distribution.
Where to buy [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate in Europe?
[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate is available through OYSI, a trusted European distributor of specialty chemicals and pharmaceutical intermediates. As a regulated substance, purchase requires proper documentation, licenses, and end-use declarations. OYSI ensures compliance with all relevant European regulations and provides certified products with appropriate safety documentation. Contact OYSI directly for availability, technical specifications, and regulatory guidance for your specific application requirements.
Services for [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
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SDS Service
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EU-compliant product documentation
ADR Consulting for [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate 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.