Cas no 172314-56-6 (4-Methyl-1,4-diazepan-5-one)

4-Methyl-1,4-diazepan-5-one is a heterocyclic compound featuring a seven-membered diazepane ring with a ketone functionality at the 5-position and a methyl substituent at the 4-position. This structure imparts versatility in organic synthesis, particularly as a building block for pharmaceuticals and agrochemicals. Its rigid yet flexible ring system allows for selective functionalization, making it valuable in the development of bioactive molecules. The compound’s stability under standard conditions and compatibility with common reagents enhance its utility in multi-step synthetic routes. Researchers may also explore its potential as a precursor for nitrogen-containing scaffolds in medicinal chemistry applications.
4-Methyl-1,4-diazepan-5-one structure
4-Methyl-1,4-diazepan-5-one structure
Product Name:4-Methyl-1,4-diazepan-5-one
CAS No:172314-56-6
MF:C6H12N2O
MW:128.172281265259
MDL:MFCD09054767
CID:1021572
PubChem ID:18506889
Update Time:2025-10-29

4-Methyl-1,4-diazepan-5-one Chemical and Physical Properties

Names and Identifiers

    • 4-Methyl-1,4-diazepan-5-one
    • 4-methyl-[1,4]diazepan-5-one
    • 5H-1,4-Diazepin-5-one,hexahydro-4-methyl-(9CI)
    • 5H-1,4-DiazepiN-5-On
    • 5H-1,4-Diazepin-5-one, hexahydro-4-methyl-
    • AFXBHHCUPRNJEL-UHFFFAOYSA-N
    • 8863AA
    • SBB056273
    • AB49613
    • 4-methyl-1,4-diazaperhydroepin-5-one
    • ST2405871
    • BB 0259475
    • MDL: MFCD09054767
    • Inchi: 1S/C6H12N2O/c1-8-5-4-7-3-2-6(8)9/h7H,2-5H2,1H3
    • InChI Key: AFXBHHCUPRNJEL-UHFFFAOYSA-N
    • SMILES: O=C1CCNCCN1C

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 114
  • Topological Polar Surface Area: 32.299

4-Methyl-1,4-diazepan-5-one Security Information

  • Signal Word:Warning
  • Hazard Statement: H319
  • Warning Statement: P305+P351+P338
  • Storage Condition:Keep in dark place,Inert atmosphere,Room temperature

4-Methyl-1,4-diazepan-5-one Pricemore >>

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Additional information on 4-Methyl-1,4-diazepan-5-one

4-Methyl-1,4-diazepan-5-one: A Comprehensive Overview

4-Methyl-1,4-diazepan-5-one, also known by its CAS number CAS No. 172314-56-6, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound belongs to the class of diazepan derivatives, which are known for their unique structural properties and potential bioactivity. The name 4-Methyl-1,4-diazepan-5-one reflects its structural composition, with a methyl group attached at the fourth position of the diazepane ring and a ketone group at the fifth position. This combination of functional groups contributes to its distinctive chemical properties and biological activity.

The synthesis of 4-Methyl-1,4-diazepan-5-one involves a series of well-defined chemical reactions that highlight the versatility of diazepane derivatives. Recent studies have focused on optimizing the synthesis pathway to improve yield and purity, making it more accessible for further research and potential applications. The compound's structure has been analyzed using advanced spectroscopic techniques, including NMR and IR spectroscopy, which have provided insights into its conformational flexibility and electronic properties.

One of the most promising aspects of 4-Methyl-1,4-diazepan-5-one is its potential as a pharmacological agent. Preclinical studies have demonstrated its ability to interact with various biological targets, including enzymes and receptors, suggesting its role in therapeutic interventions. For instance, research has shown that this compound exhibits moderate inhibitory activity against certain proteases, which are implicated in various pathological conditions such as inflammation and cancer.

In addition to its pharmacological applications, 4-Methyl-1,4-diazepan-5-one has also been explored for its role in materials science. Its unique molecular architecture makes it a candidate for use in the development of advanced materials with tailored properties. For example, recent studies have investigated its potential as a building block for self-healing polymers, where its ability to form reversible bonds under specific conditions could lead to innovative material designs.

The environmental impact of CAS No. 172314-56-6 has also been a topic of interest. Researchers have examined its biodegradation pathways under various environmental conditions, aiming to assess its eco-friendliness and potential risks. These studies have provided valuable insights into the compound's stability and degradation mechanisms, which are crucial for its safe handling and disposal.

In conclusion, 4-Methyl-1,4-diazepan-5-one, or CAS No. 172314-56-6, represents a multifaceted compound with diverse applications across multiple disciplines. From its synthesis and structural characterization to its pharmacological and materials science applications, this compound continues to be a subject of intense research interest. As new findings emerge from ongoing studies, it is likely that this compound will find even more innovative uses in the future.

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