(4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
C14H20N2
Consulting for (4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
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Identification
- CAS Number
- 151213-39-7
- EC Number
- 425-930-8
- UN Number
- 2735
- Index Number
- 613-268-00-4
- PubChem CID
- 10198297
Physical-chemical properties
- Molecular Formula
- C14H20N2
- Molar Mass
- 216.32 g/mol
- IUPAC Name
- (4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
Chemical Identifiers
- InChI
- InChI=1S/C14H20N2/c1-2-5-12(6-3-1)9-16-10-13-7-4-8-15-14(13)11-16/h1-3,5-6,13-15H,4,7-11H2/t13-,14+/m0/s1
- InChI Key
- AFYZAHZKOFBVLE-UONOGXRCSA-N
Overview
(4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine (CAS 151213-39-7) is a bicyclic organic compound featuring a fused pyrrolo-pyridine structure with benzyl substitution and defined stereochemistry. This specialized heterocyclic compound belongs to the octahydropyrrolo[3,4-b]pyridine family, characterized by its complex bicyclic framework containing both nitrogen-containing rings. With a molecular formula of C14H20N2 and molecular weight of 216.32 g/mol, this substance exhibits specific stereochemical configuration at positions 4a and 7a, making it particularly valuable for applications requiring precise molecular geometry. The benzyl group attachment at position 6 enhances its chemical versatility and potential for further functionalization. The compound presents significant safety considerations, classified under multiple hazard categories including acute toxicity, skin corrosion, and specific target organ toxicity. Its corrosive properties (Skin Corr. 1B) require careful handling with appropriate personal protective equipment, while its ADR Class 8 classification indicates corrosive material transport requirements. The presence of GHS pictogramms including health hazard, corrosion, and environmental hazard symbols emphasizes the need for specialized storage and handling protocols. Industrial applications typically focus on pharmaceutical intermediate synthesis, where the compound's bicyclic structure serves as a building block for complex drug molecules. It also finds use in specialty chemical manufacturing and research applications requiring specific nitrogen-containing heterocycles. Unlike simpler amine compounds such as (Z)-octadec-9-en-1-amine, this bicyclic structure offers enhanced rigidity and defined spatial orientation crucial for stereoselective synthesis processes. OYSI provides this specialized compound to European industrial customers with comprehensive technical documentation and regulatory compliance support for professional applications.
Safety & Classification
Acute Tox. 4 *; Acute Tox. 4 *; STOT RE 2 *; Skin Corr. 1B; Aquatic Chronic 2
GHS Pictograms
Exclamation Mark
GHS07
Harmful. May cause irritation, allergic reactions, or drowsiness.
Health Hazard
GHS08
Serious health hazard. May cause cancer, organ damage, or genetic defects.
Corrosion
GHS05
Corrosive. Causes severe skin burns and eye damage.
Environment
GHS09
Environmental hazard. Toxic to aquatic life with long lasting effects.
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:
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +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 | 2735 |
| ADR Class | 8 |
| Packing Group | II |
| Tunnel Code | E |
| Proper Shipping Name | (4aS-cis-)-6-Benzyl-octahydropyrrolo[3,4-b]pyridin |
| Marine Pollutant | No |
Frequently Asked Questions
What is (4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
(4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is a bicyclic organic compound with the molecular formula C14H20N2 and molecular weight 216.32 g/mol. This stereoisomerically defined compound features a fused pyrrolo[3,4-b]pyridine ring system with a benzyl substituent, classified under CAS number 151213-39-7. It presents significant hazard properties including acute toxicity, skin corrosion, and specific target organ toxicity.
What are the physicochemical properties of (4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
The compound exhibits typical properties of a nitrogen-containing heterocyclic organic molecule with a molecular weight of 216.32 g/mol and formula C14H20N2. Its octahydro structure indicates a saturated bicyclic system, which typically results in moderate polarity due to the nitrogen atoms present. The benzyl group contributes to its lipophilic character. Specific physical properties such as melting point, boiling point, and solubility data would require analytical characterization for precise determination.
What is (4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine used for?
This compound serves primarily as a chemical intermediate in pharmaceutical and fine chemical synthesis due to its bicyclic nitrogen-containing structure. Its stereochemically defined configuration makes it valuable for asymmetric synthesis applications and as a building block for more complex molecular structures. The compound may be utilized in research and development activities, particularly in medicinal chemistry where such heterocyclic frameworks are commonly employed for drug discovery and development processes.
How to handle (4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine safely?
Safe handling requires comprehensive personal protective equipment due to its Skin Corr. 1B classification and acute toxicity. Operators must wear chemical-resistant gloves, eye protection, and full face shields to prevent skin and eye contact. Work should be conducted in well-ventilated areas or under fume hoods to minimize inhalation exposure. Emergency eyewash and shower facilities must be readily accessible. All handling procedures should follow established safety protocols for corrosive and toxic substances.
How to store (4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine correctly?
Storage must occur in tightly sealed, chemically compatible containers in a cool, dry, well-ventilated area away from incompatible materials. Given its corrosive nature and acute toxicity classification, the storage area should be equipped with appropriate containment measures and restricted access. Containers should be clearly labeled with hazard information and stored away from heat sources, oxidizing agents, and reactive materials. Regular container integrity checks are essential to prevent leakage or contamination.
What to do in case of contact with (4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
Immediate action is critical due to the compound's corrosive properties. For skin contact, immediately remove contaminated clothing and flush affected areas with copious amounts of water for at least 15 minutes. For eye contact, rinse immediately with clean water for at least 15 minutes while holding eyelids open. If inhaled, move the person to fresh air immediately. Seek immediate medical attention in all cases of exposure, as the compound's acute toxicity and corrosive nature require professional medical evaluation.
How to dispose of (4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine appropriately?
Disposal must comply with local, national, and European waste regulations due to its hazardous classification. The compound cannot be disposed of through regular waste streams and requires treatment by licensed hazardous waste management companies. Collection, packaging, and transport must follow ADR Class 8 requirements. Incineration at approved high-temperature facilities is typically the preferred disposal method for organic compounds with such hazard profiles, ensuring complete destruction while preventing environmental contamination.
How to transport (4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine?
Transportation is regulated under ADR Class 8, Packing Group II, classifying it as a corrosive substance requiring specific packaging and documentation. Packages must meet UN specification standards for corrosive materials, with appropriate hazard labels and markings. Transport vehicles must carry emergency response information and appropriate spill containment materials. Drivers require ADR certification for dangerous goods transport, and shipments must comply with routing restrictions and quantity limitations established for Class 8 substances.
Is (4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine subject to specific regulations?
The compound is subject to European REACH and CLP regulations requiring proper classification, labeling, and safety data sheet provision. While not currently listed as a Substance of Very High Concern (SVHC), its multiple hazard classifications mandate compliance with occupational exposure limits and risk management measures. Users must ensure downstream user obligations are met, including exposure scenario implementation. Import/export may require additional notifications depending on quantities and intended use under chemical control legislation.
Where to buy (4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine in Europe?
OYSI serves as a reliable European distributor for this specialized chemical compound, providing access to quality-controlled material with proper documentation and regulatory compliance. Our European distribution network ensures efficient supply chain management while maintaining the strict handling and transport requirements necessary for this hazardous substance. We provide comprehensive technical support, safety documentation, and regulatory guidance to ensure safe and compliant use by qualified industrial and research customers throughout Europe.
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SDS Service
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(4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine 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.