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

Name: 7-Benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one
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CAS No. 77716-01-9
Cat. No. CS-W000408
Purity≥97%
MDL No.None

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7-Benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one|CS-W000408

Structure of 77716-01-9

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Description

7-Benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one features a rigid, electron-deficient bicyclic scaffold that enables precise spatial control in synthetic transformations. The benzyl group enhances lipophilicity and facilitates downstream functionalization, while the lactam moiety offers stability under standard conditions. This structure serves as a strategic intermediate in complex molecule assembly.

Application

7-Benzyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-one serves as a versatile scaffold for medicinal chemistry campaigns, enabling efficient access to constrained heterocyclic architectures. Its bicyclic core combines a benzylic handle with a ketone and ether functionalities, supporting diverse transformations including reductive amination, nucleophilic addition, and transition-metal-catalyzed coupling. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis in drug discovery programs.

General Information

CAS No. 77716-01-9
Cat. No. CS-W000408
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₇NO₂
Molecular Weight 231.29
Synonym(s) 7-Benzyl-3-oxo-7-aza-bicyclo[3.3.1nonan-9-one
SMILES O=C1C2CN(CC1COC2)CC3=CC=CC=C3

Computational Chemistry Data

TPSA 29.54
LogP 1.3339
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

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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Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Key Words

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

CAS No. 77716-01-9

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