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Benzyl 3-oxopiperidine-1-carboxylate

  • CAS No. 61995-20-8

  • Cat. No. CS-W002983
  • Purity≥95%
  • MDL No.MFCD03001723

*For research and further manufacturing use only, not for direct human use.

Benzyl 3-oxopiperidine-1-carboxylate|CS-W002983

Structure of 61995-20-8

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General Information

  • CAS No. 61995-20-8
  • Cat. No. CS-W002983
  • Purity ≥95%
  • MDL No. MFCD03001723
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅NO₃
  • Molecular Weight 233.26
  • Synonym(s) 3-Oxopiperidine-1-carboxylic acid benzyl ester
  • SMILES O=C1CCCN(C1)C(=O)OCc1ccccc1

Description

Benzyl 3-oxopiperidine-1-carboxylate features a carbamate-protected piperidine scaffold with a ketone at the 3-position, enabling direct functionalization in synthetic routes. This bench-stable intermediate integrates readily into complex heterocyclic systems and serves as a key building block for bioactive molecule synthesis.

Application

Benzyl 3-oxopiperidine-1-carboxylate serves as a versatile scaffold for the synthesis of piperidine-based heterocycles, enabling efficient access to medicinally relevant core structures. The ketone functionality at C3 supports selective reduction, alkylation, and enolate chemistry, while the benzyl ester permits mild deprotection under hydrogenolysis conditions. This stability and functional group compatibility make it a practical building block in medicinal chemistry workflows.

Synthesis

  • Route1

    References

    • Apostolopoulos; Haroutounian Journal of Heterocyclic Chemistry, 1995 , vol. 32, # 6 p. 1843 - 1845
  • Route2
    • null|null
      501-53-1
    • null|null
      50717-82-3
    • ~%
    • In-stock
      Benzyl 3-oxopiperidine-1-carboxylate|CS-W002983
      61995-20-8

    References

    • US6277865 B1, ;
  • Route3
    • 1-Benzylpiperidin-3-one|CS-0135334
      40114-49-6
    • null|null
      501-53-1
    • ~82%
    • In-stock
      Benzyl 3-oxopiperidine-1-carboxylate|CS-W002983
      61995-20-8

    References

    • Bigogno, Chiara; Danieli, Bruno; Lesma, Giordano; Passarella, Daniele Heterocycles, 1995 , vol. 41, # 5 p. 973 - 982

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.61
  • LogP   1.9881
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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