Lot numbers can be found on the outside label of a product:
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
*For research and further manufacturing use only, not for direct human use.
![3-Benzyl-7-oxa-3-azabicyclo[4.1.0]heptane|CS-0183212](https://file.chemscene.com/productPIC/CS-0183212.gif)
Structure of 725715-12-8
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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
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.
Synthesis
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Route1
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In-stock
40240-12-8 - ~89%
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In-stock
725715-12-8
References
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SUMITOMO CHEMICAL COMPANY, LIMITED Patent: US2011/172431 A1, 2011 ; Location in patent: Page/Page column 11-12 ;
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Route2
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110-86-1 - ~%
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In-stock
725715-12-8
References
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Scheunemann, Matthias; Hennig, Lothar; Funke, Uta; Steinbach, Joerg Tetrahedron, 2011 , vol. 67, # 19 p. 3448 - 3456
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Route3
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100-44-7
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In-stock
725715-12-8
References
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Scheunemann, Matthias; Hennig, Lothar; Funke, Uta; Steinbach, Joerg Tetrahedron, 2011 , vol. 67, # 19 p. 3448 - 3456
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H315-H319
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Precautionary Statements : P264-P280-P302+P352-P362+P364
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Quality Control
Computational Chemistry Data
- TPSA 15.77
- LogP 1.6597
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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