N-Boc-9-Azabicyclo[3.3.1]nonan-3-one

Name: N-Boc-9-Azabicyclo[3.3.1]nonan-3-one
Brand: ChemScene
Availability: InStock
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CAS No. 512822-27-4
Cat. No. CS-W006193
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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N-Boc-9-Azabicyclo[3.3.1]nonan-3-one|CS-W006193

Structure of 512822-27-4

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Description

N-Boc-9-Azabicyclo[3.3.1]nonan-3-one is a bench-stable, moisture-tolerant heterocyclic building block featuring a rigid bicyclic scaffold with a ketone functionality at the 3-position and a Boc-protected amine at the 9-position. This configuration enables direct incorporation into complex alkaloid syntheses and medicinal chemistry campaigns, where conformational constraint enhances target affinity.

Application

N-Boc-9-Azabicyclo[3.3.1]nonan-3-one serves as a versatile building block in medicinal chemistry, enabling the synthesis of constrained nitrogen-containing scaffolds. The Boc group provides excellent stability and ease of removal under mild acidic conditions, while the ketone functionality supports selective reductions, enolizations, and nucleophilic additions. Its rigid bicyclic framework imparts conformational control, facilitating the development of targeted small-molecule candidates with improved metabolic stability and binding affinity.

General Information

CAS No. 512822-27-4
Cat. No. CS-W006193
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₂₁NO₃
Molecular Weight 239.31
Synonym(s) tert-butyl 7-oxo-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILES CC(C)(C)OC(=O)N1C2CCCC1CC(=O)C2

Computational Chemistry Data

TPSA 46.61
LogP 2.5075
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362-P501

Quality Control

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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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N-Boc-9-Azabicyclo[3.3.1]nonan-3-one

CAS No. 512822-27-4

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