Lot numbers can be found on the outside label of a product:
1-Benzylpiperidine-3,5-dione
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CAS No. 50866-56-3
- Cat. No. CS-0136610
- Purity≥97%
- MDL No.MFCD08669419
*For research and further manufacturing use only, not for direct human use.
Structure of 50866-56-3
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General Information
- CAS No. 50866-56-3
- Cat. No. CS-0136610
- Purity ≥97%
- MDL No. MFCD08669419
- Storage -20°C, sealed storage, away from moisture
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₁₂H₁₃NO₂
- Molecular Weight 203.24
- Synonym(s) 1-Benzyl-3,5-piperidinedione
- SMILES O=C(C1)CN(CC2=CC=CC=C2)CC1=O
Description
1-Benzylpiperidine-3,5-dione features a rigid, electron-deficient piperidine core flanked by carbonyl groups, enabling integration into bioactive scaffolds. The benzyl substituent enhances lipophilicity and metabolic stability, supporting its use in medicinal chemistry campaigns targeting CNS disorders and kinase modulation.
Application
1-Benzylpiperidine-3,5-dione serves as a versatile synthetic intermediate for heterocyclic scaffolds, enabling efficient construction of biologically relevant piperidine cores. Its diketone functionality supports sequential functionalization and cyclization reactions, particularly in the synthesis of fused polycycles and alkaloid analogs. The benzyl group enhances stability and facilitates purification, while the molecule exhibits robust reactivity under standard conditions, making it well-suited for medicinal chemistry and process development workflows.
Synthesis
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Route1
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392246-02-5 - ~%
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In-stock
50866-56-3
References
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Olofsson, Berit; Bogar, Krisztian; Fransson, Ann-Britt L.; Baeckvall, Jan-E. Journal of Organic Chemistry, 2006 , vol. 71, # 21 p. 8256 - 8260
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Route2
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15057-40-6 - ~%
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In-stock
50866-56-3
References
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Huynh, Tri H. V.; Shim, Irene; Bohr, Henrik; Abrahamsen, Bjarke; Nielsen, Birgitte; Jensen, Anders A.; Bunch, Lennart Journal of Medicinal Chemistry, 2012 , vol. 55, # 11 p. 5403 - 5412
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Route3
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In-stock
6436-90-4 - ~%
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In-stock
50866-56-3
References
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Huynh, Tri H. V.; Shim, Irene; Bohr, Henrik; Abrahamsen, Bjarke; Nielsen, Birgitte; Jensen, Anders A.; Bunch, Lennart Journal of Medicinal Chemistry, 2012 , vol. 55, # 11 p. 5403 - 5412
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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 37.38
- LogP 1.0305
- H_Acceptors 3
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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