[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
C17H23NO3
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Identification
- CAS Number
- 51-55-8
- EC Number
- 200-104-8
- UN Number
- 1544
- Index Number
- 614-010-00-3
- PubChem CID
- 174174
Physical-chemical properties
- Molecular Formula
- C17H23NO3
- Molar Mass
- 289.40 g/mol
- IUPAC Name
- [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
Chemical Identifiers
- InChI
- InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16?
- InChI Key
- RKUNBYITZUJHSG-PJPHBNEVSA-N
Overview
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate (CAS 51-55-8) is a tropane alkaloid ester with potent pharmacological activity and significant toxicological properties. This bicyclic compound, with molecular formula C17H23NO3 and molecular weight 289.4 g/mol, represents a well-characterized member of the tropane alkaloid family. The substance features a distinctive 8-azabicyclo[3.2.1]octane ring system esterified with a 3-hydroxy-2-phenylpropanoic acid moiety, giving it unique stereochemical and pharmacological properties. Its European Community number 200-104-8 reflects its long-established presence in chemical commerce and regulatory frameworks. Safety considerations are paramount when handling this compound, as evidenced by its classification under Acute Tox. 2 with the danger signal word and GHS06 pictogram. The ADR Class 6.1 designation requires specialized transport protocols and proper containment measures. Industrial users must implement stringent safety protocols, including appropriate personal protective equipment and controlled access procedures. The compound finds applications in pharmaceutical research as a reference standard and in analytical chemistry for method development and validation studies. Additionally, it serves as a starting material for synthetic transformations in medicinal chemistry programs. Unlike simpler aromatic compounds such as chloromethylbenzene or N-methylaniline, this complex alkaloid structure offers unique reactivity patterns valuable for specialized synthetic applications. Research laboratories and pharmaceutical companies utilize this substance for various analytical and synthetic purposes, requiring high-purity materials with comprehensive documentation. Its structural complexity and biological activity make it particularly valuable for neuropharmacological research and related studies. OYSI maintains availability of this specialized compound with appropriate safety documentation and regulatory compliance for qualified industrial and research customers.
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 | I |
| Tunnel Code | C/E |
| Proper Shipping Name | Atropin |
| Marine Pollutant | No |
Frequently Asked Questions
What is [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate?
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate is a tropane alkaloid ester compound with the molecular formula C17H23NO3 and CAS number 51-55-8. This bicyclic organic compound has a molecular weight of 289.4 g/mol and features a complex stereochemical structure. It is classified as highly toxic with acute toxicity category 2, requiring extreme caution during handling and storage operations.
What are the physicochemical properties of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate?
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate is an organic compound with molecular formula C17H23NO3 and molecular weight 289.4 g/mol. As a tropane alkaloid derivative, it typically exists as a crystalline solid at room temperature. The compound contains both hydrophilic and lipophilic regions due to its ester linkage and bicyclic structure, affecting its solubility characteristics in various solvents.
What is [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate used for?
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate is primarily used in pharmaceutical research and analytical chemistry applications. Due to its highly toxic nature (Acute Tox. 2), its use is strictly regulated and limited to specialized laboratory settings with appropriate safety measures. Industrial applications require proper licensing and adherence to strict safety protocols given its dangerous classification.
How to safely handle [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate?
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate requires extreme safety precautions due to its Acute Tox. 2 classification. Essential PPE includes chemical-resistant gloves, safety goggles, and respiratory protection. Work must be conducted in well-ventilated areas or fume hoods. Avoid skin contact, inhalation, and ingestion. Emergency procedures should be readily available, and only trained personnel should handle this substance.
How to properly store [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate?
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate must be stored in a secure, temperature-controlled environment away from incompatible materials. Given its ADR Class 6.1 Group I classification, storage requires specialized toxic substance cabinets with proper ventilation and restricted access. Keep containers tightly sealed, away from heat sources, and maintain detailed inventory records. Storage areas should have appropriate warning signage and emergency response equipment.
What to do in case of contact with [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate?
Immediate medical attention is required for any contact with [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate due to its high toxicity. For skin contact, remove contaminated clothing and rinse thoroughly with water for at least 15 minutes. If inhaled, move to fresh air immediately. In case of eye contact, flush with clean water for 15 minutes. Never induce vomiting if ingested. Contact emergency services immediately.
How to properly dispose of [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate?
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate disposal must follow strict hazardous waste regulations due to its Acute Tox. 2 classification. Only licensed hazardous waste disposal companies should handle this material. Waste must be properly labeled, containerized in compatible materials, and accompanied by appropriate documentation. Incineration at authorized high-temperature facilities is typically required. Never dispose of via standard waste streams or sewage systems.
How to transport [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate?
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate is classified as ADR Class 6.1 Group I, indicating highly toxic substances requiring special transport procedures. Packaging must meet UN specifications for toxic materials, with appropriate labeling and documentation. Transport vehicles require specialized equipment and trained drivers with ADR certification. Emergency response information must accompany all shipments, and route planning should avoid populated areas where possible.
Is [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate subject to specific regulations?
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate is subject to extensive European regulations including REACH registration requirements and CLP classification as Acute Tox. 2 with GHS06 pictogram. It requires safety data sheets, proper labeling with danger signal words, and compliance with ADR transport regulations. While not listed as SVHC, its high toxicity subjects it to strict handling, storage, and disposal regulations across EU member states.
Where to buy [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate in Europe?
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate is available through OYSI, a specialized European distributor of technical chemicals. Due to its high toxicity classification, purchase requires proper licensing and compliance with regulatory requirements. OYSI ensures full regulatory compliance, proper packaging, and safe delivery across Europe. Contact OYSI directly for availability, technical specifications, and regulatory documentation required for your specific application and jurisdiction.
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ADR Consulting for [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 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.