7-Boc-3-oxa-7-azabicyclo[3.3.1]nonan-9-one

Name: 7-Boc-3-oxa-7-azabicyclo[3.3.1]nonan-9-one
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CAS No. 454695-20-6
Cat. No. CS-W000407
Molecule weightNone
Purity≥98%
MDL No.MFCD12198824

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7-Boc-3-oxa-7-azabicyclo[3.3.1]nonan-9-one|CS-W000407

Structure of 454695-20-6

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General Information

CAS No. 454695-20-6
Cat. No. CS-W000407
Purity ≥98%
MDL No. MFCD12198824
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₉NO₄
Molecular Weight None
Synonym(s) tert-Butyl 9-oxo-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
SMILES O=C(OC(C)(C)C)N1CC2C(C(C1)COC2)=O

Description

7-Boc-3-oxa-7-azabicyclo[3.3.1]nonan-9-one is a stable, bench-ready heterocyclic scaffold featuring a protected amine and carbonyl functionality. This rigid, electron-deficient core integrates readily into complex molecular architectures, enabling efficient access to bioactive nitrogen-containing frameworks in medicinal chemistry and natural product synthesis.

Application

7-Boc-3-oxa-7-azabicyclo[3.3.1]nonan-9-one serves as a versatile scaffold for the synthesis of constrained nitrogen-containing heterocycles, enabling efficient access to bioactive analogs via selective deprotection and functionalization. The Boc group provides bench stability and orthogonal handling, while the lactam functionality supports diverse transformations including hydrogenation, nucleophilic attack, and coupling reactions. Its rigid bicyclic framework facilitates conformational control in medicinal chemistry applications.

Safety Information

Download SDS

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-P280-P302+P352

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Computational Chemistry Data

TPSA 55.84
LogP 1.0688
H_Acceptors 4
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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7-Boc-3-oxa-7-azabicyclo[3.3.1]nonan-9-one

CAS No. 454695-20-6

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