(4aS,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine

Basic Information

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CAS Number

158060-81-2

Molecular Formula

C7H14N2

Molecular Weight

126.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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C1CC2CNCC2NC1

InChI

InChI=1S/C7H14N2/c1-2-6-4-8-5-7(6)9-3-1/h6-9H,1-5H2/t6-,7-/m0/s1

InChIKey

KSCPLKVBWDOSAI-BQBZGAKWSA-N

LogP

-0.04220000000000018

Topological Polar Surface Area

24.06 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

103

Synonyms & References

English

(4aS,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine
trans-2,8-Diazabicyclo[4.3.0]nonane
trans-Octahydro-1H-pyrrolo[3,4-b]pyridine
Trans-Octahydro-pyrrolo[3,4-b]pyridine
AK128282
KB-207881
SureCN7496575
Moxifloxacin Related Impurity 1
(4aR,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridine
trans-octahydro-1H-pyrrolo[3,4-b]pyridine
(4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine
Octahydro-1H-pyrrolo[3,4-b]pyridine, (4aS,7aR)-
TRANS-OCTAHYDRO-PYRROLO[3,4-B]PYRIDINE
SCHEMBL7496575
DTXSID20424926
169533-56-6
U238JHK7SQ
AKOS016013252
DB-327796
CS-0447455
158060-81-2
1H-Pyrrolo[3,4-b]pyridine, octahydro-, (4aS-trans)-
(1R,6S)-2,8-Diazabicyclo[4.3.0]nonane

MDL Number

MFCD22071450

FAQ

What are the physical and chemical properties of (4aS,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine (CAS: 158060-81-2)?

(4aS,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine is a crystalline solid with a molecular weight of approximately 117.14 g/mol. It has limited water solubility but is more soluble in organic solvents. It exhibits basic properties due to its pyridine ring. The compound is stable under normal conditions but can react with strong acids or bases. It is not flammable but should be handled in a fume hood to avoid inhalation and contact with skin.

How is (4aS,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine (CAS: 158060-81-2) typically synthesized?

(4aS,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine can be synthesized via reduction of 2,3-dihydro-1H-pyrrolo[3,4-b]pyridine with a suitable reducing agent such as sodium borohydride in an alcohol solvent. This process yields high purity product with good selectivity and moderate to high yield. The reaction should be conducted under an inert atmosphere to prevent oxidation.

What industries use (4aS,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine (CAS: 158060-81-2)?

(4aS,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine has applications in pharmaceuticals, where it is used as a precursor for certain drugs. It is also utilized in the synthesis of polymers for their electronic properties, and as a component in sensors and semiconductors due to its electronic characteristics.

What precautions should be taken when handling (4aS,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine (CAS: 158060-81-2)?

When handling (4aS,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine, it is essential to wear appropriate personal protective equipment (PPE) such as gloves and goggles. The material should be used in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up promptly using appropriate absorbent materials, and the area should be ventilated to remove any vapors. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.