3-Benzyl-7-oxa-3-azabicyclo[4.1.0]heptane

Name: 3-Benzyl-7-oxa-3-azabicyclo[4.1.0]heptane
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CAS No. 725715-12-8
Cat. No. CS-0183212
Purity≥95%
MDL No.None

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3-Benzyl-7-oxa-3-azabicyclo[4.1.0]heptane|CS-0183212

Structure of 725715-12-8

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Description

3-Benzyl-7-oxa-3-azabicyclo[4.1.0]heptane is a rigid, electron-rich heterocyclic scaffold featuring a bridged oxazepine core with a pendant benzyl group. This structure combines enhanced metabolic stability with favorable solubility characteristics, enabling efficient integration into bioactive molecules. The spatially constrained framework supports precise target engagement in medicinal chemistry applications.

Application

3-Benzyl-7-oxa-3-azabicyclo[4.1.0]heptane serves as a rigid, conformationally constrained scaffold for medicinal chemistry applications, enabling precise spatial positioning of functional groups. Its fused bicyclic structure combines an oxygen heteroatom with a nitrogen-containing ring system, offering enhanced metabolic stability and defined stereochemistry. The benzyl substituent provides π-stacking potential and facilitates purification via chromatography. This compound functions effectively in the synthesis of bioactive molecules, particularly in target-directed library design where steric control and solubility are critical.

General Information

CAS No. 725715-12-8
Cat. No. CS-0183212
Purity ≥95%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₁₅NO
Molecular Weight 189.25
Synonym(s) 4-benzyl-7-oxa-4-azabicyclo[4.1.0]heptane
SMILES C1=CC=C(C=C1)CN2CCC3C(C2)O3

Computational Chemistry Data

TPSA 15.77
LogP 1.6597
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 2

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Other Classifications

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Key Words

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3-Benzyl-7-oxa-3-azabicyclo[4.1.0]heptane

CAS No. 725715-12-8

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