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CS-W001157 4
Total: USD 88.00

4-Azepanone hydrochloride

  • CAS No. 50492-22-3

  • Cat. No. CS-W001845
  • Purity≥98%
  • MDL No.MFCD02183487

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

4-Azepanone hydrochloride|CS-W001845

Structure of 50492-22-3

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General Information

  • CAS No. 50492-22-3
  • Cat. No. CS-W001845
  • Purity ≥98%
  • MDL No. MFCD02183487
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₂ClNO
  • Molecular Weight 149.62
  • Synonym(s) None
  • SMILES O=C1CCNCCC1.Cl

Description

4-Azepanone (hydrochloride) is a cyclic ketone featuring a seven-membered azepane ring with a protonated nitrogen and a carbonyl group. This bench-stable, moisture-tolerant heterocycle serves as a key intermediate in medicinal chemistry, enabling efficient access to bioactive alkaloids and pharmacologically relevant scaffolds through nucleophilic functionalization.

Application

4-Azepanone (hydrochloride) serves as a versatile heterocyclic building block in medicinal chemistry, enabling efficient access to saturated nitrogen-containing scaffolds. Its cyclic ketone functionality facilitates nucleophilic addition and reductive amination reactions, while the protonated amine enhances solubility and stability for handling. The hydrochloride salt form ensures excellent bench stability and ease of purification, making it well-suited for multi-step synthesis and scale-up applications.

Synthesis

  • Route1
    • null|null
      623-73-4
    • null|null
      29976-53-2
    • ~89%
    • In-stock
      4-Azepanone hydrochloride|CS-W001845
      50492-22-3

    References

    • Commissariat a l'Energie Atomique Patent: EP1997381 A1, 2008 ; Location in patent: Page/Page column 16 ;
  • Route2

    References

    • Dubinina, Galyna G.; Yoshida, Wesley Y.; Chain, William J. Tetrahedron Letters, 2010 , vol. 51, # 40 p. 5325 - 5327
  • Route3
    • null|null
      29976-53-2
    • ~%
    • In-stock
      4-Azepanone hydrochloride|CS-W001845
      50492-22-3

    References

    • De Ruiter; Andurkar; Riley; Walters; Noggle Jr. Journal of Heterocyclic Chemistry, 1992 , vol. 29, # 4 p. 779 - 786

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302+H332-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   0.7508
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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