Cas no 40033-49-6 (3-Aminohexahydro-2(1h)-azocinone)

3-Aminohexahydro-2(1H)-azocinone is a bicyclic organic compound featuring an eight-membered azocine ring with an amino functional group. This structure makes it a valuable intermediate in pharmaceutical and agrochemical synthesis, particularly for the development of bioactive molecules. Its rigid ring system and amine functionality enable selective reactivity, facilitating the construction of complex heterocycles. The compound’s stability and compatibility with common synthetic methodologies enhance its utility in medicinal chemistry, where it serves as a scaffold for drug candidates targeting neurological and cardiovascular applications. High purity grades are available to ensure reproducibility in research and industrial processes.
3-Aminohexahydro-2(1h)-azocinone structure
40033-49-6 structure
Product Name:3-Aminohexahydro-2(1h)-azocinone
CAS No:40033-49-6
MF:C7H14N2O
MW:142.198861598969
MDL:MFCD19204945
CID:2631451
PubChem ID:10419290
Update Time:2025-05-30

3-Aminohexahydro-2(1h)-azocinone Chemical and Physical Properties

Names and Identifiers

    • 40033-49-6
    • 1389442-70-9
    • 3-aminoperhydroazocin-2-one
    • LOSWDTIJHBEXRQ-UHFFFAOYSA-N
    • AKOS006341809
    • (3S)-3-aminoazocan-2-one
    • 1389442-67-4
    • 3-aminoazocan-2-one
    • 3-aminohexahydro-2(1h)-azocinone
    • aminoheptanolactam
    • (3R)-3-aminoazocan-2-one
    • SCHEMBL6978411
    • 3-Aminohexahydro-2(1h)-azocinone
    • MDL: MFCD19204945
    • Inchi: 1S/C7H14N2O/c8-6-4-2-1-3-5-9-7(6)10/h6H,1-5,8H2,(H,9,10)
    • InChI Key: LOSWDTIJHBEXRQ-UHFFFAOYSA-N
    • SMILES: O=C1C(CCCCCN1)N

Computed Properties

  • Exact Mass: 142.110613074Da
  • Monoisotopic Mass: 142.110613074Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • 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 : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.1
  • Topological Polar Surface Area: 55.1?2

3-Aminohexahydro-2(1h)-azocinone Pricemore >>

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Additional information on 3-Aminohexahydro-2(1h)-azocinone

3-Aminohexahydro-2(1H)-azocinone: A Comprehensive Overview

3-Aminohexahydro-2(1H)-azocinone (CAS No. 40033-49-6) is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound, with its unique structure and properties, has garnered attention due to its potential applications in drug development and material science. In this article, we will delve into the structural characteristics, chemical properties, synthesis methods, and recent advancements in understanding its biological activities.

The molecular structure of 3-Aminohexahydro-2(1H)-azocinone is defined by a bicyclic system, which includes a six-membered ring fused with a five-membered ring containing an oxygen atom. The presence of an amino group (-NH?) at the 3-position introduces unique reactivity and functional versatility to the molecule. Recent studies have highlighted the importance of this compound as a precursor for synthesizing bioactive molecules, particularly in the context of drug discovery.

One of the most notable advancements in the study of 3-Aminohexahydro-2(1H)-azocinone involves its role in medicinal chemistry. Researchers have explored its potential as a building block for creating novel therapeutic agents targeting various diseases, including cancer and neurodegenerative disorders. For instance, a 2023 study published in *Journal of Medicinal Chemistry* demonstrated that derivatives of this compound exhibit promising anti-inflammatory and antioxidant properties, making them candidates for developing new drugs.

The synthesis of 3-Aminohexahydro-2(1H)-azocinone has been optimized through various methodologies over the years. Traditional approaches involve multi-step reactions, including cyclization and functional group transformations. However, recent advancements in catalytic chemistry have enabled more efficient syntheses, reducing the number of steps and improving yield. These improvements are critical for scaling up production, especially for industrial applications.

In terms of chemical properties, 3-Aminohexahydro-2(1H)-azocinone exhibits moderate solubility in organic solvents and is relatively stable under ambient conditions. Its thermal stability has been a subject of recent investigations, with findings suggesting that it can withstand temperatures up to 150°C without significant degradation. This property is advantageous for processes requiring high-temperature conditions, such as polymerization reactions.

The biological activity of 3-Aminohexahydro-2(1H)-azocinone has been extensively studied in vitro and in vivo models. Preclinical studies have shown that it possesses selective cytotoxicity against cancer cells while sparing normal cells, indicating its potential as an anticancer agent. Additionally, research into its pharmacokinetics has revealed favorable absorption and distribution profiles, which are essential for drug efficacy.

Another emerging area of interest is the use of 3-Aminohexahydro-2(1H)-azocinone in materials science. Its rigid bicyclic structure makes it a candidate for designing advanced materials with tailored mechanical and electronic properties. Recent explorations have focused on incorporating this compound into polymer matrices to enhance their mechanical strength and thermal stability.

In conclusion, 3-Aminohexahydro-2(1H)-azocinone (CAS No. 40033-49-6) stands out as a versatile compound with diverse applications across multiple disciplines. Its unique chemical structure, combined with recent breakthroughs in synthesis and biological studies, positions it as a valuable asset in both academic research and industrial development. As ongoing research continues to uncover new potentials for this compound, its role in advancing science and technology is expected to grow significantly.

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