(4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine

C14H20N2

CAS151213-39-7
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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 chiral bicyclic organic compound featuring nitrogen-containing heterocycles with specific stereochemical configuration. This specialized heterocyclic compound belongs to the pyrrolopyridine family, characterized by its fused ring system combining pyrrole and pyridine moieties. With a molecular formula of C14H20N2 and molecular weight of 216.32 g/mol, this substance exhibits distinct stereochemistry at two chiral centers, designated by the (4aS,7aS) configuration. The benzyl substituent at the 6-position contributes to its unique chemical properties and potential biological activity. The compound presents significant safety considerations requiring careful handling protocols. Classified under multiple hazard categories including Acute Toxicity 4, Skin Corrosion 1B, and STOT RE 2, it carries the "Danger" signal word with associated GHS pictograms GHS05, GHS07, GHS08, and GHS09. Its ADR classification as Class 8 indicates corrosive properties, necessitating appropriate storage and transportation measures. The aquatic chronic toxicity classification highlights environmental considerations during handling and disposal. Industrial applications typically involve pharmaceutical intermediates and fine chemical synthesis, where the compound's specific stereochemistry proves valuable in asymmetric synthesis pathways. Research applications often utilize such pyrrolopyridine derivatives in medicinal chemistry programs, particularly in developing compounds targeting neurological pathways. Unlike simpler nitrogen-containing compounds such as (Z)-octadec-9-en-1-amine, this bicyclic structure offers enhanced selectivity in chemical transformations. The compound requires specialized handling expertise due to its corrosive nature and multiple toxicity classifications, making proper supplier selection crucial for safe procurement and use. OYSI provides reliable access to this specialized heterocyclic compound with comprehensive safety documentation and technical support for European industrial customers.

Safety & Classification

Danger
Classification:

Acute Tox. 4 *; Acute Tox. 4 *; STOT RE 2 *; Skin Corr. 1B; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H332

Harmful if inhaled.

H302

Harmful if swallowed.

H373

May cause damage to organs through prolonged or repeated exposure.

H314

Causes severe skin burns and eye damage.

H411

Toxic to aquatic life with long lasting effects.

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

Harmful

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

Harmful

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

Harmful

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

Harmful

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 Number2735
ADR Class8
Packing GroupII
Tunnel CodeE
Proper Shipping Name(4aS-cis-)-6-Benzyl-octahydropyrrolo[3,4-b]pyridin
Marine PollutantNo

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 complex organic nitrogen-containing heterocyclic compound with the molecular formula C14H20N2. This chiral molecule features a fused bicyclic structure combining pyrrole and pyridine rings with a benzyl substituent. With a molecular weight of 216.32 g/mol and CAS number 151213-39-7, it belongs to the class of octahydropyrrolopyridines and exhibits significant biological activity potential due to its stereochemistry and structural complexity.

What are the physicochemical properties of (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 an organic solid with a molecular weight of 216.32 g/mol and molecular formula C14H20N2. As a bicyclic amine compound, it likely exhibits basic properties due to its nitrogen atoms. The compound's physical appearance, exact melting point, and solubility characteristics would depend on its specific crystalline form and purity grade, though typical organic amines show varying solubility in polar and non-polar solvents.

What is (4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine used for?

(4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is primarily used as a pharmaceutical intermediate and research chemical in medicinal chemistry applications. Its complex bicyclic structure with defined stereochemistry makes it valuable for synthesizing bioactive compounds and drug candidates. The compound serves as a building block in organic synthesis, particularly for developing molecules targeting neurological pathways or as chiral auxiliaries in asymmetric synthesis processes within pharmaceutical and fine chemical industries.

How to handle (4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine safely?

(4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine requires careful handling due to its corrosive properties and toxicity classification. Essential protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work in well-ventilated areas or under fume hoods to avoid inhalation. Given its Acute Tox. 4 and Skin Corr. 1B classifications, minimize exposure time and ensure emergency shower and eyewash stations are readily accessible during handling operations.

How to store (4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine correctly?

(4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine must be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. As a corrosive substance, use chemically resistant containers and provide secondary containment. Store separately from acids, oxidizing agents, and reactive metals. Maintain controlled temperature conditions to preserve stability and prevent decomposition. Ensure storage areas are equipped with appropriate spill containment measures and restrict access to trained personnel only.

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 decontamination is essential for any contact with (4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine due to its corrosive nature. For skin contact, immediately flush with copious amounts of water for at least 15 minutes and remove contaminated clothing. In case of eye contact, rinse thoroughly with water for 15 minutes while holding eyelids open. If inhaled, move to fresh air immediately. Seek immediate medical attention for all exposure routes, especially given the substance's acute toxicity classification.

How to dispose of (4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine appropriately?

(4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine must be disposed of through licensed hazardous waste disposal facilities due to its toxicity and environmental classification. The substance requires special handling as hazardous waste under European regulations given its Aquatic Chronic 2 classification. Never discharge into drains, soil, or waterways. Collect waste in appropriate containers, label clearly with substance identification and hazard information, and arrange collection by certified waste management companies following local and national hazardous waste regulations.

How to transport (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 classified as ADR Class 8 (corrosive substances), Packing Group II, indicating moderate danger level for transport. Packaging must comply with UN specifications for corrosive materials, using appropriate containers that resist chemical attack. Vehicles must display proper hazard placards and carry emergency response information. Drivers require ADR certification for transporting dangerous goods. Ensure packages are properly labeled with hazard diamonds and comply with quantity limitations for different transport categories.

Is (4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine subject to specific regulations?

(4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is regulated under European REACH and CLP regulations but is not currently classified as a Substance of Very High Concern (SVHC). The substance must comply with classification, labeling, and packaging requirements due to its hazard profile including acute toxicity and corrosive properties. Users must maintain safety data sheets, implement appropriate risk management measures, and may need to register depending on annual tonnage. Additional national restrictions may apply in specific EU member states.

Where to buy (4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine in Europe?

(4aS,7aS)-6-benzyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine is available through OYSI, a specialized European distributor of technical chemical products. OYSI provides this research-grade chemical compound with proper documentation including safety data sheets and certificates of analysis. As a professional chemical supplier, OYSI ensures compliance with European regulations and proper packaging for safe delivery. Contact OYSI directly for availability, specifications, and technical support for this specialized pharmaceutical intermediate and research chemical compound.

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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.

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Data Sources

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