Lot numbers can be found on the outside label of a product:
8-Benzyl-8-azabicyclo[3.2.1]octan-3-one
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CAS No. 28957-72-4
- Cat. No. CS-M0616
- Purity≥95%
- MDL No.MFCD00151640
*For research and further manufacturing use only, not for direct human use.
![8-Benzyl-8-azabicyclo[3.2.1]octan-3-one|CS-M0616](https://file.chemscene.com/productPIC/CS-M0616.gif)
Structure of 28957-72-4
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General Information
- CAS No. 28957-72-4
- Cat. No. CS-M0616
- Purity ≥95%
- MDL No. MFCD00151640
- Storage 4°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₄H₁₇NO
- Molecular Weight 215.29
- Synonym(s) N-Benzyl-8-azabicyclo[3.2.1]octan-3-one
- SMILES O=C1CC(CC2)N(CC3=CC=CC=C3)C2C1
Description
8-Benzyl-8-azabicyclo[3.2.1]octan-3-one is a sterically constrained, nitrogen-containing bicyclic ketone featuring a benzyl-substituted azabicycle scaffold. This structure integrates a rigid framework with a pendant aromatic group, enabling precise spatial control in synthetic applications. The molecule exhibits enhanced stability and compatibility under standard bench conditions, making it suitable for use in medicinal chemistry and complex molecular assembly workflows.
Application
8-Benzyl-8-azabicyclo[3.2.1]octan-3-one serves as a versatile scaffold in medicinal chemistry, enabling the construction of constrained piperidine analogs via standard reduction and functionalization protocols. Its bicyclic core exhibits robust bench stability and tolerates diverse reaction conditions, facilitating efficient derivatization at the C3 carbonyl and benzylic positions. The molecule functions effectively as a building block for G-protein-coupled receptor (GPCR) ligands and other bioactive architectures requiring rigidified nitrogen-containing frameworks.
Synthesis
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Route1
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In-stock
542-05-2 -
100-46-9 - ~99%
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In-stock
28957-72-4
References
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THERAVANCE, INC. Patent: US2006/135764 A1, 2006 ; Location in patent: Page/Page column 22-23 ; US 20060135764 A1
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Route2
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696-59-3
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In-stock
542-05-2
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100-46-9
- ~86%
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In-stock
28957-72-4
References
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PFIZER PRODUCTS INC. Patent: WO2008/84300 A1, 2008 ; Location in patent: Page/Page column 100-101 ; WO 2008/084300 A1
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Route3
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In-stock
542-05-2
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638-37-9
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100-46-9
- ~90%
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In-stock
28957-72-4
References
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Mergelsberg, Ingrid; Werne, Gerald Patent: US2006/58343 A1, 2006 ; Location in patent: Page/Page column 8 ;
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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 : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 20.31
- LogP 2.3825
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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