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

Basic Information

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CAS Number

147459-51-6

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

Boiling Point

198.5°C at 760 mmHg

Flash Point

87.1±10.2 ºC,

Refractive Index

1.469

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+/m1/s1

InChIKey

KSCPLKVBWDOSAI-RQJHMYQMSA-N

LogP

-0.04220000000000018

Topological Polar Surface Area

24.06 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

103

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

cis-Octahydro-pyrrolo[3,4-b]pyridine
DTXSID401252010
(4aR,7aR)-octahydro-1H-pyrrolo[3,4-b]pyridine
151213-42-2
(4AR,7AR)-REL-OCTAHYDRO-1H-PYRROLO[3,4-B]PYRIDINE
MFCD04116298
CS-W005708
F15979
DS-10774
Octahydro-pyrrolo[3,4-b]pyridine;cis-Octahydro-1H-pyrrolo[3,4-b]pyridine
(1R,6R)-2,8-Diazabicyclo[4.3.0]nonane (Technical Grade)
cis-Octahydro-1H-pyrrolo[3 pound not4-b]pyridine
(4aR,7aR)-octahydro-6H-pyrrolo[3,4-b]pyridine
CIS-OCTAHYDRO-1H-PYRROLO[3,4-B]PYRIDINE
(R,R)-2,8-Diazabicyclo[4.3.0]nonane
1H-Pyrrolo[3,4-b]pyridine, octahydro-, (4aR,7aR)-rel-
(4aR,7aR)-1H-octahydropyrrolo[3,4-b]pyridine
KSCPLKVBWDOSAI-RQJHMYQMSA-N
MFCD09954739
1H-Pyrrolo[3,4-b]pyridine, octahydro-, (4aR,7aR)-
AMY501
147459-51-6
AKOS006293924
SCHEMBL606391
cis-Octahydropyrrolo[3,4-b]pyridine
(R, R)-2,8-diazabicyclo [4.3.0]nonane
(4aR,7aR)-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine
J-501358
(R,R)-2,8-diazabicyclo[4,3,0]nonane
(1R,6R)-2,8-diazabicyclo[4,3,0]nonane
J-008789

MDL Number

MFCD04116298

FAQ

What are the physical and chemical properties of (4aR,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine (CAS: 147459-51-6)?

(4aR,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine is a crystalline solid with a molecular weight of approximately 127.16 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. This compound is moderately reactive, exhibiting basic properties and can undergo substitution reactions. It is also known for its stability under normal laboratory conditions.

How is (4aR,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine (CAS: 147459-51-6) typically synthesized?

(4aR,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine can be synthesized via the Mannich reaction, where a pyrrole derivative is treated with an aldehyde and a base in the presence of a catalyst. This method provides good selectivity and high yield. The reaction is typically carried out under mild conditions, and the product can be isolated by column chromatography.

What industries use (4aR,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine (CAS: 147459-51-6)?

(4aR,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine finds applications in the pharmaceutical industry, where it serves as a precursor for drug synthesis. It is also used in the development of sensors and in the synthesis of polymers due to its unique molecular structure and reactivity.

What precautions should be taken when handling (4aR,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine (CAS: 147459-51-6)?

When handling (4aR,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The compound should be stored in a well-ventilated area and away from heat sources. In case of a spill, use appropriate absorbent materials, and consult the Safety Data Sheet (SDS) for specific spill procedures. Always ensure that the fume hood is in use during handling to minimize inhalation risks.