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CS-W001157 4
Total: USD 88.00

1-(1,4-Diazepan-1-yl)ethanone

  • CAS No. 61903-11-5

  • Cat. No. CS-W011017
  • Purity≥98%
  • MDL No.MFCD00674492

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

1-(1,4-Diazepan-1-yl)ethanone|CS-W011017

Structure of 61903-11-5

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General Information

  • CAS No. 61903-11-5
  • Cat. No. CS-W011017
  • Purity ≥98%
  • MDL No. MFCD00674492
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₄N₂O
  • Molecular Weight 142.20
  • Synonym(s) N-Acetylhomopiperazine
  • SMILES CC(=O)N1CCCNCC1

Description

1-(1,4-Diazepan-1-yl)ethanone features a bicyclic amine scaffold with a ketone handle, enabling direct incorporation into bioactive molecule scaffolds. The acetyl group provides a reactive site for derivatization, while the diazepane ring offers enhanced solubility and metabolic stability in drug discovery applications.

Application

1-(1,4-Diazepan-1-yl)ethanone serves as a versatile building block in medicinal chemistry, enabling the introduction of a polar, basic heterocyclic amide moiety. The ketone functionality facilitates downstream transformations such as reductive amination and nucleophilic addition, while the 1,4-diazepane scaffold provides metabolic stability and favorable solubility. Its bench-stable nature and compatibility with standard synthetic protocols make it suitable for iterative library synthesis and API development.

Synthesis

  • Route1
    • In-stock
      Homopiperazine|CS-W007768
      505-66-8
    • null|null
      108-24-7
    • ~57%
    • In-stock
      1-(1,4-Diazepan-1-yl)ethanone|CS-W011017
      61903-11-5

    References

    • Tetrahedron Letters, , vol. 49, # 34 p. 5047 - 5049

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H319
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   32.34
  • LogP   -0.1718
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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