[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate

C17H21NO4

CAS51-34-3
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
Danger

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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 tropane alkaloid derivative with potent anticholinergic and mydriatic properties. This complex organic compound, with molecular formula C17H21NO4 and molecular weight 303.35 g/mol, represents a significant pharmaceutical intermediate in the production of anticholinergic medications. The substance features a characteristic tricyclic structure containing both nitrogen and oxygen heteroatoms, combined with a phenylpropanoate ester side chain that contributes to its biological activity. From a safety perspective, this material requires exceptional handling precautions due to its Acute Toxicity classifications (Acute Tox. 1 and Acute Tox. 2), warranting the "Danger" signal word and GHS06 pictogram. The compound falls under ADR Class 6.1 for transportation, indicating its toxic nature. Personnel working with this substance must implement strict containment protocols, appropriate personal protective equipment, and emergency response procedures. In industrial applications, this compound serves primarily as a pharmaceutical intermediate in the synthesis of anticholinergic drugs used in ophthalmology and neurology. It also finds application in research and development of tropane-based therapeutics and as a reference standard in analytical chemistry. Unlike simpler alkylating agents such as ethyl 2-bromoacetate, this complex alkaloid derivative requires specialized synthetic pathways and purification techniques. The substance's stereochemistry is critical for its biological activity, making enantiomeric purity a key quality parameter in commercial applications. Manufacturing processes must maintain strict control over reaction conditions to preserve the desired stereochemical configuration. OYSI provides this specialized pharmaceutical intermediate to qualified industrial customers with appropriate handling capabilities and regulatory compliance.

Safety & Classification

Danger
Classification:

Acute Tox. 2 *; Acute Tox. 1; Acute Tox. 2 *

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H330

Fatal if inhaled.

H310

Fatal in contact with skin.

H300

Fatal if swallowed.

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

Fatal

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

Fatal

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

Fatal

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 Number1544
ADR Class6.1
Packing GroupI
Tunnel CodeC/E
Proper Shipping NameHyoscin
Marine PollutantNo

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 complex organic compound with the molecular formula C17H21NO4 and CAS number 51-34-3. This substance has a molecular weight of 303.35 g/mol and features a tricyclic structure containing nitrogen and oxygen heteroatoms. It is classified as highly toxic and requires careful handling due to its acute toxicity properties across multiple exposure routes.

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 an organic solid with a molecular weight of 303.35 g/mol. The compound contains multiple chiral centers as indicated by its stereochemical notation, giving it specific three-dimensional properties. Its complex tricyclic structure with both ester and hydroxyl functional groups influences its solubility characteristics and chemical reactivity. Specific physical properties such as melting point, boiling point, and solubility data should be obtained from detailed technical specifications.

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 serves as a specialized chemical intermediate in pharmaceutical and research applications. Its unique stereochemical structure makes it valuable for synthetic chemistry research and potential pharmaceutical development. Due to its high toxicity classification, its use is typically restricted to professional laboratory and industrial settings where proper safety protocols can be maintained. Applications require specialized knowledge and appropriate safety measures given its acute toxicity properties.

How to safely handle [(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 requires extreme caution due to its Acute Tox. 1 and 2 classifications. Essential protective equipment includes nitrile gloves, safety goggles, and respiratory protection in well-ventilated areas or fume hoods. Avoid skin contact, inhalation, and ingestion completely. Work with minimal quantities, use proper laboratory techniques, and ensure emergency procedures are readily available. Only trained personnel should handle this substance, and all local safety regulations must be strictly followed.

How to properly store [(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 must be stored in a secure, locked poison cabinet due to its high toxicity. Keep containers tightly sealed in a cool, dry place away from heat sources and incompatible materials. Ensure adequate ventilation and restrict access to authorized personnel only. The storage area should have appropriate warning signs and emergency equipment nearby. Regular inspection of container integrity is essential, and inventory should be carefully tracked and documented according to local regulations.

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?

Immediate medical attention is required for any 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 due to its extreme toxicity. For skin contact, remove contaminated clothing and flush with water for at least 15 minutes. If inhaled, move to fresh air immediately. For eye contact, rinse thoroughly with water. Never induce vomiting if ingested. Contact emergency services immediately and provide the safety data sheet to medical personnel. Time is critical given the substance's high acute toxicity classification.

How to properly 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?

[(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 disposed of as hazardous waste through licensed waste management companies only. Due to its high acute toxicity classification, it cannot be disposed of through normal waste streams. Collection, packaging, and transportation must comply with ADR regulations for Class 6.1 toxic substances. Maintain detailed waste documentation and ensure proper waste codes are assigned. Contact specialized hazardous waste disposal services familiar with highly toxic organic compounds for safe elimination.

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 under ADR Class 6.1, Packing Group I, indicating extremely dangerous toxic substances. Transport requires specialized packaging meeting UN specifications for highly toxic materials. Vehicles must carry appropriate emergency equipment and drivers need ADR certification. Proper shipping documentation, emergency response information, and hazard placarding are mandatory. Only experienced carriers familiar with toxic substance transport should handle shipments, ensuring full compliance with international dangerous goods regulations.

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 special 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 extensive regulatory oversight under REACH and CLP regulations due to its high acute toxicity. While not classified as SVHC, its Acute Tox. 1 classification requires strict compliance with chemical safety regulations, proper risk assessments, and exposure scenarios. Import, storage, and use may require special permits or notifications depending on quantities and applications. Users must maintain safety data sheets, implement appropriate risk management measures, and ensure regulatory compliance in their specific jurisdiction.

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 specialized European distributor of technical chemicals. Due to its high toxicity classification, purchase is typically restricted to qualified industrial and research customers with appropriate safety infrastructure. OYSI ensures full regulatory compliance, proper packaging according to ADR requirements, and comprehensive safety documentation. Contact OYSI directly to discuss availability, technical specifications, and regulatory requirements for your specific application and location within Europe.

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

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.

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Data Sources

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