Cas no 80808-96-4 (1,5-Dimethyl-3,7-diazabicyclo3.3.1nonan-9-one)

1,5-Dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one is a bicyclic organic compound featuring a rigid diazabicyclo framework with a ketone functional group at the 9-position. Its unique structure imparts stability and versatility, making it valuable in synthetic chemistry, particularly as a precursor or intermediate in pharmaceutical and agrochemical applications. The compound’s stereochemistry and functional groups enable selective reactivity, facilitating the synthesis of complex heterocycles. Its well-defined molecular architecture also supports studies in catalysis and ligand design. The presence of nitrogen atoms enhances its potential for forming coordination complexes, while the ketone group offers opportunities for further derivatization. This compound is characterized by high purity and consistent performance in research and industrial settings.
1,5-Dimethyl-3,7-diazabicyclo3.3.1nonan-9-one structure
80808-96-4 structure
Product Name:1,5-Dimethyl-3,7-diazabicyclo3.3.1nonan-9-one
CAS No:80808-96-4
MF:C9H16N2O
MW:168.236142158508
MDL:MFCD01083139
CID:1802556
Update Time:2025-05-26

1,5-Dimethyl-3,7-diazabicyclo3.3.1nonan-9-one Chemical and Physical Properties

Names and Identifiers

    • 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
    • 3,7-diazabicyclo[3.3.1]nonan-9-one, 1,5-dimethyl-
    • 1,5-dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one(SALTDATA: FREE)
    • 1,5-Dimethyl-3,7-diazabicyclo3.3.1nonan-9-one
    • MDL: MFCD01083139
    • Inchi: 1S/C9H16N2O/c1-8-3-10-5-9(2,7(8)12)6-11-4-8/h10-11H,3-6H2,1-2H3
    • InChI Key: VAXDAORNOMZREO-UHFFFAOYSA-N
    • SMILES: O=C1C2(C)CNCC1(C)CNC2

Computed Properties

  • Exact Mass: 168.126
  • Monoisotopic Mass: 168.126
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 195
  • 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

1,5-Dimethyl-3,7-diazabicyclo3.3.1nonan-9-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
D462068-10mg
1,5-Dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one
80808-96-4
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$ 50.00 2022-06-05
TRC
D462068-50mg
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Chemenu
CM525662-1g
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$305 2022-06-10
Crysdot LLC
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abcr
AB268105-5g
1,5-Dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one, 95%; .
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A2B Chem LLC
AC34903-1g
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abcr
AB268105-250 mg
1,5-Dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one; 95%
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€357.80 2023-07-20
abcr
AB268105-1 g
1,5-Dimethyl-3,7-diazabicyclo[3.3.1]nonan-9-one; 95%
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1,5-Dimethyl-3,7-diazabicyclo3.3.1nonan-9-one Related Literature

Additional information on 1,5-Dimethyl-3,7-diazabicyclo3.3.1nonan-9-one

Professional Introduction to Compound with CAS No. 80808-96-4 and Product Name: 1,5-Dimethyl-3,7-diazabicyclo3.3.1nonan-9-one

The compound identified by the CAS number 80808-96-4 and the product name 1,5-Dimethyl-3,7-diazabicyclo3.3.1nonan-9-one represents a significant advancement in the field of organic chemistry and pharmaceutical research. This bicyclic structure, characterized by its unique nitrogen-containing heterocycle, has garnered attention for its potential applications in medicinal chemistry and drug discovery. The compound's intricate molecular framework, featuring a fused bicyclo[3.3.1]nonane core with two methyl substituents and two azacyclohexane units, positions it as a promising candidate for further exploration in synthetic chemistry and biological activity studies.

Recent research in the domain of heterocyclic compounds has highlighted the importance of nitrogen-containing scaffolds in the development of bioactive molecules. The presence of multiple nitrogen atoms in 1,5-Dimethyl-3,7-diazabicyclo3.3.1nonan-9-one not only enhances its structural complexity but also opens up diverse possibilities for functionalization and interaction with biological targets. Studies have demonstrated that such nitrogen-rich structures can exhibit a wide range of pharmacological properties, including antimicrobial, anti-inflammatory, and even anticancer effects. The compound's ability to engage with various enzymes and receptors makes it an intriguing subject for further investigation.

In the context of drug development, the synthesis of complex cyclic compounds like 1,5-Dimethyl-3,7-diazabicyclo3.3.1nonan-9-one poses significant challenges due to their stereochemical intricacies and the need for precise functional group manipulation. However, advancements in synthetic methodologies have made it increasingly feasible to construct such molecules with high fidelity. Modern techniques such as transition-metal-catalyzed reactions and organometallic chemistry have enabled chemists to access novel heterocyclic frameworks that were previously inaccessible. These methods have not only streamlined the synthesis process but also allowed for greater control over the stereochemistry of the final product.

The pharmacological potential of 1,5-Dimethyl-3,7-diazabicyclo3.3.1nonan-9-one has been explored through various computational and experimental studies. Molecular modeling studies suggest that the compound can interact with multiple biological targets due to its flexible bicyclic structure and multiple hydrogen bonding sites provided by the nitrogen atoms. These interactions could potentially lead to the development of new therapeutic agents with improved efficacy and reduced side effects compared to existing treatments. Additionally, the compound's stability under various conditions makes it a suitable candidate for further preclinical testing.

One of the most exciting aspects of this compound is its potential as a scaffold for drug design. By modifying specific functional groups or introducing additional substituents, researchers can fine-tune the biological activity of 1,5-Dimethyl-3,7-diazabicyclo3.3.1nonan-9-one to target specific diseases or conditions more effectively. For instance, studies have shown that certain derivatives of this compound exhibit potent inhibitory effects on enzymes involved in cancer progression. This underscores the importance of structural diversity in drug discovery and highlights the need for innovative approaches to synthesize novel heterocyclic compounds.

The synthesis of 1,5-Dimethyl-3,7-diazabicyclo3.3.1nonan-9-one involves several key steps that showcase modern synthetic strategies in organic chemistry. The construction of the bicyclo[3.3.1]nonane core requires careful consideration of reaction conditions and intermediates to ensure high yield and purity. Once the core structure is established, functionalization at specific positions can be achieved through selective reactions such as nucleophilic substitution or metal-catalyzed cross-coupling reactions. These steps require precise control over reaction parameters to avoid unwanted side products and ensure optimal yield.

Recent advances in green chemistry have also influenced the synthesis of this compound by promoting sustainable practices that minimize waste and reduce environmental impact. Techniques such as catalytic asymmetric synthesis allow for enantioselective construction of chiral centers without the need for harsh reagents or extensive purification steps. These methods align with global efforts to make chemical synthesis more efficient and environmentally friendly while maintaining high standards of quality control.

The biological evaluation of 1,5-Dimethyl-3,7-diazabicyclo3.3.1nonan-9-one has revealed several promising activities that warrant further investigation. In vitro studies have shown that this compound exhibits inhibitory effects on certain enzymes associated with inflammatory responses and oxidative stress reduction mechanisms relevant to neurodegenerative diseases like Alzheimer's disease or Parkinson's disease respectively.. Additionally preliminary data suggest potential interactions with receptors involved in pain perception which could make it useful as an analgesic agent.. These findings highlight its versatility as a pharmacological tool capable targeting multiple therapeutic areas simultaneously..

The future prospects for 1,5-Dimethyl-3..7..Diazabicyclo..[..]..Nonan..9..one are vast given its unique structural features.. Further research is needed to fully elucidate its mechanism(s)of action across different biological systems.. Additionally exploring new synthetic routes could enhance accessibility making larger scale production feasible.. Collaborative efforts between chemists biologists pharmacologists will be crucial deciphering full potential this promising scaffold offers.. As field continues evolve anticipate more innovative applications emerging from work built upon foundation laid by initial discoveries regarding this remarkable molecule..

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