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CS-W001157 4
Total: USD 88.00

N-Boc-hexahydro-1H-azepine-4-one

  • CAS No. 188975-88-4

  • Cat. No. CS-D0285
  • Purity≥97%
  • MDL No.MFCD03788435

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

N-Boc-hexahydro-1H-azepine-4-one|CS-D0285

Structure of 188975-88-4

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General Information

  • CAS No. 188975-88-4
  • Cat. No. CS-D0285
  • Purity ≥97%
  • MDL No. MFCD03788435
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₉NO₃
  • Molecular Weight 213.27
  • Synonym(s) None
  • SMILES O=C1CCN(C(OC(C)(C)C)=O)CCC1

Description

N-Boc-hexahydro-1H-azepine-4-one features a stable, bench-ready Boc-protected lactam core with enhanced solubility in common organic solvents. This cyclic amide integrates readily into diverse synthetic routes, serving as a key scaffold for medicinal chemistry campaigns targeting nitrogen-rich heterocycles.

Application

N-Boc-hexahydro-1H-azepine-4-one serves as a versatile scaffold for the construction of nitrogen-containing heterocycles and bioactive molecules. The Boc-protected amine enables straightforward deprotection and functionalization, while the ketone at C4 facilitates selective reduction, enolization, or nucleophilic addition. This stable, bench-ready building block exhibits excellent functional group tolerance and is compatible with standard coupling and cyclization protocols in medicinal chemistry and process synthesis.

Synthesis

  • Route1

    References

    • MORPHOCHEM AKTIENGESELLSCHAFT FUeR KOMBINATORISCHE CHEMIE Patent: WO2004/35569 A2, 2004 ; Location in patent: Page/Page column 58 ;
  • Route2

    References

    • JANSSEN RandD IRELAND; GUILLEMONT, Jerôme Emile Georges; LANÇOIS, David Francis Alain; MOTTE, Magali Madeleine Simone; BALEMANS, Wendy Mia Albert; KOUL, Anil Patent: WO2014/23815 A1, 2014 ; Location in patent: Page/Page column 37 ;
  • Route3

    References

    • Sumitomo Pharmaceuticals Company, Limited Patent: EP1500643 A1, 2005 ; Location in patent: Page 48 ; EP 1500643 A1

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   46.61
  • LogP   1.9765
  • H_Acceptors   3
  • H_Donors   H_Donors:
  • Rotatable_Bonds   Rotatable_Bonds:

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