tert-Butyl 9-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate

Name: tert-Butyl 9-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate
Brand: ChemScene
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CAS No. 512822-34-3
Cat. No. CS-0036522
Purity≥97%
MDL No.None

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tert-Butyl 9-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate|CS-0036522

Structure of 512822-34-3

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General Information

CAS No. 512822-34-3
Cat. No. CS-0036522
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₂₁NO₃
Molecular Weight 239.31
Synonym(s) None
SMILES CC(C)(C)OC(=O)N1CC2CCCC(C1)C2=O

Description

tert-Butyl 9-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate features a rigid bicyclic scaffold with a ketone at the 9-position and a nitrogen atom embedded in the ring system. This configuration enables direct functionalization at the 9-position, while the tert-butyl ester group provides stability and ease of manipulation under standard conditions. The compound serves as a key intermediate in the synthesis of complex alkaloids and bioactive heterocycles.

Application

tert-Butyl 9-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate serves as a versatile bicyclic scaffold for medicinal chemistry and synthetic organic applications. The ketone and ester functionalities enable selective reductions, nucleophilic additions, and derivatization under standard conditions. Its stability and ease of purification make it suitable for iterative synthesis workflows. Functions effectively in asymmetric transformations and as a building block for complex nitrogen-containing heterocycles.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 46.61
LogP 2.2225
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Key Words

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tert-Butyl 9-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate

CAS No. 512822-34-3

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