Cas no 61903-11-5 (1-(1,4-diazepan-1-yl)ethan-1-one)

1-(1,4-diazepan-1-yl)ethan-1-one structure
61903-11-5 structure
Product Name:1-(1,4-diazepan-1-yl)ethan-1-one
CAS No:61903-11-5
MF:C7H14N2O
MW:142.198861598969
MDL:MFCD00674492
CID:90138
PubChem ID:4186202
Update Time:2025-10-29

1-(1,4-diazepan-1-yl)ethan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(1,4-Diazepan-1-yl)ethanone
    • 1-Acetylhomopiperazine
    • N-Acetylhomopiperazine
    • 1-acetyl-1,4-diazepane(SALTDATA: 1.5HCl 0.75H2O)
    • 1-acetylhexahydro-1H-1,4-diazepine
    • 1-Acetyl[1,4]diazepane
    • 1-Acetylhexahydro-1,4-diazepine
    • 4-Acetylhomopiperazine
    • 4-Acetyl-1,4-diazepane
    • 1-acetyl-1,4-diazepane
    • 1-(1,4-Diazepan-1-Yl)Ethan-1-One
    • 1-[1,4]Diazepan-1-yl-ethanone
    • 1H-1,4-Diazepine, 1-acetylhexahydro-
    • N-Acetylhomopperazne
    • N-acetyl-homopiperazine
    • N-acetyl-homopiperizine
    • 1-acetyl-[1,4]diazepane
    • 1-acetyl-1,4-diazaperhydroepine
    • TWJPZM
    • AC-9098
    • J-523436
    • SY061927
    • AKOS000119045
    • N-Acetylhomopiperazine, >=97.0% (GC)
    • A8570
    • Z166645986
    • EN300-23907
    • DTXSID00400480
    • 61903-11-5
    • MFCD00674492
    • TS-01850
    • TWJPZMYNUBAUGA-UHFFFAOYSA-N
    • 1-[1,4]-diazepan-1-yl-ethanone
    • SCHEMBL44868
    • CS-W011017
    • FT-0640793
    • F8881-2646
    • STL183831
    • DB-054018
    • 1-(1,4-diazepan-1-yl)ethan-1-one
    • MDL: MFCD00674492
    • Inchi: 1S/C7H14N2O/c1-7(10)9-5-2-3-8-4-6-9/h8H,2-6H2,1H3
    • InChI Key: TWJPZMYNUBAUGA-UHFFFAOYSA-N
    • SMILES: O=C(C)N1CCNCCC1

Computed Properties

  • Exact Mass: 142.11100
  • Monoisotopic Mass: 142.111
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 125
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: -0.6
  • Topological Polar Surface Area: 32.299

Experimental Properties

  • Color/Form: Colorless liquid
  • Density: 1.077?g/mL?at 20?°C(lit.)
  • Boiling Point: 275 oC
  • Flash Point: 120 oC
  • Refractive Index: n20/D 1.510
  • PSA: 32.34000
  • LogP: 0.09490
  • Solubility: Not determined
  • Sensitiveness: Air Sensitive

1-(1,4-diazepan-1-yl)ethan-1-one Security Information

  • Symbol: GHS05
  • Signal Word:Danger
  • Hazard Statement: H314
  • Warning Statement: P280-P305 + P351 + P338-P310
  • Hazardous Material transportation number:UN 2735 8/PG 3
  • WGK Germany:3
  • Hazard Category Code: 34
  • Safety Instruction: S26-S36/37/39-S45
  • FLUKA BRAND F CODES:3-10-34
  • Hazardous Material Identification: C
  • Packing Group:III
  • Hazard Level:8
  • Risk Phrases:R34
  • Packing Group:III
  • Safety Term:8
  • HazardClass:8
  • PackingGroup:III
  • Storage Condition:Keep in dark place,Inert atmosphere,Room temperature

1-(1,4-diazepan-1-yl)ethan-1-one Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-(1,4-diazepan-1-yl)ethan-1-one Pricemore >>

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1-(1,4-diazepan-1-yl)ethan-1-one Production Method

Additional information on 1-(1,4-diazepan-1-yl)ethan-1-one

Exploring the Versatile Applications and Properties of 1-(1,4-Diazepan-1-yl)ethan-1-one (CAS No. 61903-11-5)

In the realm of organic chemistry, 1-(1,4-diazepan-1-yl)ethan-1-one (CAS No. 61903-11-5) stands out as a compound of significant interest due to its unique structural features and broad applicability. This molecule, characterized by a seven-membered diazepane ring linked to an acetyl group, has garnered attention in pharmaceutical research, material science, and synthetic chemistry. Its versatility makes it a valuable intermediate in the development of novel compounds with potential therapeutic benefits.

The 1,4-diazepane core of this compound is particularly noteworthy, as it serves as a privileged scaffold in medicinal chemistry. Researchers have explored its derivatives for their ability to interact with various biological targets, including receptors and enzymes. The presence of the acetyl group in 1-(1,4-diazepan-1-yl)ethan-1-one further enhances its reactivity, making it a versatile building block for the synthesis of more complex molecules. This dual functionality has led to its widespread use in drug discovery programs.

Recent advancements in synthetic methodologies have highlighted the importance of 1-(1,4-diazepan-1-yl)ethan-1-one as a key intermediate. Its synthesis typically involves the reaction of 1,4-diazepane with acetylating agents under controlled conditions. The compound's stability and solubility in common organic solvents make it an attractive candidate for further chemical modifications. Moreover, its relatively low toxicity profile has encouraged its use in various experimental settings.

One of the most exciting applications of 1-(1,4-diazepan-1-yl)ethan-1-one lies in its potential role in central nervous system (CNS) drug development. The diazepane ring is structurally similar to motifs found in several clinically approved drugs, suggesting that derivatives of this compound could exhibit similar pharmacological properties. Researchers are particularly interested in exploring its potential as a precursor for anxiolytic and antidepressant agents, given the growing global demand for effective mental health treatments.

Beyond pharmaceuticals, 1-(1,4-diazepan-1-yl)ethan-1-one has found utility in material science applications. Its ability to form stable complexes with metal ions makes it valuable in catalysis and coordination chemistry. The compound's unique electronic properties have also been investigated for potential use in organic electronic devices, where its conjugated system could facilitate charge transport. These diverse applications underscore the compound's importance across multiple scientific disciplines.

The market for 1,4-diazepane derivatives has seen steady growth in recent years, driven by increasing research activity in both academic and industrial settings. As a key intermediate, 1-(1,4-diazepan-1-yl)ethan-1-one has become an important commercial product, with several specialty chemical suppliers offering it in various quantities. The compound's stability under standard storage conditions and relatively straightforward synthesis contribute to its commercial viability.

Quality control and analytical characterization of 1-(1,4-diazepan-1-yl)ethan-1-one are crucial aspects of its production and application. Standard analytical techniques such as NMR spectroscopy, mass spectrometry, and HPLC are routinely employed to verify the compound's purity and identity. These quality assurance measures ensure that researchers receive material of consistent quality for their investigations, whether in drug discovery programs or materials science applications.

Environmental considerations have also come into focus regarding the production and use of 1-(1,4-diazepan-1-yl)ethan-1-one. The chemical industry has made significant strides in developing greener synthetic routes for such intermediates, reducing waste generation and energy consumption. These sustainable approaches align with the growing emphasis on green chemistry principles in modern chemical manufacturing.

Looking to the future, 1-(1,4-diazepan-1-yl)ethan-1-one is poised to play an increasingly important role in scientific research. Its structural versatility and potential biological activity continue to attract attention from diverse research communities. As synthetic methodologies advance and our understanding of structure-activity relationships deepens, this compound and its derivatives are likely to feature prominently in the development of new therapeutic agents and functional materials.

For researchers working with 1-(1,4-diazepan-1-yl)ethan-1-one, proper handling and storage remain essential considerations. While not classified as hazardous under standard conditions, appropriate laboratory practices should always be followed when working with any chemical substance. The compound's stability and relatively benign nature make it suitable for a wide range of experimental applications without requiring specialized containment measures.

The scientific literature contains numerous examples of innovative applications for 1,4-diazepane derivatives, with 1-(1,4-diazepan-1-yl)ethan-1-one serving as a foundational building block. Recent publications have described its use in the synthesis of novel heterocyclic compounds, potential drug candidates, and specialized materials. This growing body of research highlights the compound's versatility and the creative ways in which chemists are leveraging its unique properties.

In conclusion, 1-(1,4-diazepan-1-yl)ethan-1-one (CAS No. 61903-11-5) represents a fascinating example of how relatively simple organic structures can give rise to diverse and valuable applications. From its role in pharmaceutical research to its potential in materials science, this compound continues to demonstrate its importance in modern chemistry. As research progresses and new applications emerge, 1-(1,4-diazepan-1-yl)ethan-1-one is likely to remain a compound of significant interest to scientists across multiple disciplines.

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