Lot numbers can be found on the outside label of a product:
Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate
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CAS No. 39514-19-7
- Cat. No. CS-D0518
- Purity≥95%
- MDL No.MFCD00044512
*For research and further manufacturing use only, not for direct human use.
Structure of 39514-19-7
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General Information
- CAS No. 39514-19-7
- Cat. No. CS-D0518
- Purity ≥95%
- MDL No. MFCD00044512
- Storage -20°C, sealed storage, away from moisture
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₅H₁₉NO₃
- Molecular Weight 261.32
- Synonym(s) N-BENZYL-4-CARBETHOXY-3-PIPERIDONE
- SMILES O=C(C1C(CN(CC2=CC=CC=C2)CC1)=O)OCC
Description
Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate features a rigid piperidine core bearing a benzyl group at nitrogen and a ketone at C3, enabling efficient access to complex alkaloid scaffolds. The ester functionality supports modular derivatization under standard conditions, while the electron-deficient enone system facilitates conjugate addition reactions. This bench-stable intermediate is well-suited for synthetic routes in medicinal chemistry and natural product synthesis.
Application
Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to piperidine-based scaffolds. Its benzyl-protected amine and α,β-unsaturated carbonyl system facilitate reductive amination, nucleophilic addition, and transition-metal-catalyzed coupling reactions. The compound exhibits excellent bench stability and simplifies purification, making it well-suited for iterative synthesis of bioactive molecules and API intermediates.
Synthesis
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Route1
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In-stock
52763-21-0 - ~96%
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In-stock
39514-19-7
References
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PFIZER INC. Patent: WO2008/120093 A1, 2008 ; Location in patent: Page/Page column 74-75 ;
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Route2
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63876-32-4 - ~%
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In-stock
39514-19-7
References
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Connolly, Terrence J.; Matchett, Michael; Sarma, Keshab Organic Process Research and Development, 2005 , vol. 9, # 1 p. 80 - 87
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References
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Connolly, Terrence J.; Matchett, Michael; Sarma, Keshab Organic Process Research and Development, 2005 , vol. 9, # 1 p. 80 - 87
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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 46.61
- LogP 1.6407
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 4
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Key Words
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