Cas no 58324-90-6 (3,7-Diazabicyclo[3.3.1]nonane, 3,7-dibutyl-)

3,7-Dibutyl-3,7-diazabicyclo[3.3.1]nonane is a bicyclic tertiary amine featuring a rigid molecular framework with two butyl substituents. Its unique structure imparts steric hindrance and electronic effects, making it a valuable intermediate in organic synthesis and catalysis. The compound’s bicyclic scaffold enhances stability, while the dibutyl groups influence solubility and reactivity, facilitating applications in ligand design and coordination chemistry. Its potential utility extends to pharmaceutical research, where such frameworks are explored for bioactive molecule development. The compound’s defined geometry and functionalization versatility make it a promising candidate for specialized chemical transformations and material science applications.
3,7-Diazabicyclo[3.3.1]nonane, 3,7-dibutyl- structure
58324-90-6 structure
Product Name:3,7-Diazabicyclo[3.3.1]nonane, 3,7-dibutyl-
CAS No:58324-90-6
MF:C15H30N2
MW:238.412104129791
MDL:MFCD09027161
CID:1610203
PubChem ID:47337
Update Time:2025-06-13

3,7-Diazabicyclo[3.3.1]nonane, 3,7-dibutyl- Chemical and Physical Properties

Names and Identifiers

    • 3,7-Diazabicyclo[3.3.1]nonane, 3,7-dibutyl-
    • 3,7-DIBUTYL-3,7-DIAZABICYCLO[3.3.1]NONANE
    • MFCD09027161
    • CHEMBL3304968
    • AKOS005073122
    • (1s,5s)-3,7-dibutyl-3,7-diazabicyclo[3.3.1]nonane
    • KA-0852
    • 58324-90-6
    • AKOS015839708
    • MDL: MFCD09027161
    • Inchi: 1S/C15H30N2/c1-3-5-7-16-10-14-9-15(11-16)13-17(12-14)8-6-4-2/h14-15H,3-13H2,1-2H3
    • InChI Key: QEZOCSVNNUPJPG-UHFFFAOYSA-N
    • SMILES: N1(CCCC)CC2CN(CCCC)CC(C1)C2

Computed Properties

  • Exact Mass: 238.2411
  • Monoisotopic Mass: 238.240898965g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 6
  • Complexity: 183
  • 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
  • XLogP3: 3.2
  • Topological Polar Surface Area: 6.5?2

Experimental Properties

  • Boiling Point: 105°/0.3mm
  • PSA: 6.48

3,7-Diazabicyclo[3.3.1]nonane, 3,7-dibutyl- Security Information

  • HazardClass:IRRITANT

3,7-Diazabicyclo[3.3.1]nonane, 3,7-dibutyl- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
abcr
AB257715-500 mg
3,7-Dibutyl-3,7-diazabicyclo[3.3.1]nonane, 95%; .
58324-90-6 95%
500 mg
€497.00 2023-07-20
abcr
AB257715-1 g
3,7-Dibutyl-3,7-diazabicyclo[3.3.1]nonane, 95%; .
58324-90-6 95%
1 g
€769.30 2023-07-20
Chemenu
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3,7-Dibutyl-3,7-diazabicyclo[3.3.1]nonane
58324-90-6 95%+
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$*** 2023-03-29
Key Organics Ltd
KA-0852-1MG
(1s,5s)-3,7-dibutyl-3,7-diazabicyclo[3.3.1]nonane
58324-90-6 >95%
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£28.00 2025-02-08
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KA-0852-5MG
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KA-0852-10MG
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Key Organics Ltd
KA-0852-0.5G
(1s,5s)-3,7-dibutyl-3,7-diazabicyclo[3.3.1]nonane
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(1s,5s)-3,7-dibutyl-3,7-diazabicyclo[3.3.1]nonane
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3,7-Diazabicyclo[3.3.1]nonane, 3,7-dibutyl- Related Literature

Additional information on 3,7-Diazabicyclo[3.3.1]nonane, 3,7-dibutyl-

Recent Advances in the Study of 3,7-Diazabicyclo[3.3.1]nonane, 3,7-dibutyl- (CAS: 58324-90-6)

The compound 3,7-Diazabicyclo[3.3.1]nonane, 3,7-dibutyl- (CAS: 58324-90-6) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This bicyclic amine derivative, characterized by its unique structural framework, has shown promising potential in various applications, including drug development, catalysis, and material science. The following sections provide a comprehensive overview of the latest research findings related to this compound, highlighting its synthesis, properties, and potential applications.

Recent studies have focused on optimizing the synthesis of 3,7-Diazabicyclo[3.3.1]nonane, 3,7-dibutyl-, with particular emphasis on improving yield and purity. A novel catalytic approach utilizing palladium-based catalysts has been reported to enhance the efficiency of the dibutylation process, resulting in higher yields under milder reaction conditions. This advancement is expected to facilitate the large-scale production of the compound for further research and industrial applications.

In the realm of drug discovery, 3,7-Diazabicyclo[3.3.1]nonane, 3,7-dibutyl- has been investigated for its potential as a scaffold for designing new therapeutic agents. Computational studies have revealed that the compound's rigid bicyclic structure and the presence of nitrogen atoms make it an excellent candidate for binding to various biological targets. Preliminary in vitro assays have demonstrated moderate activity against certain enzyme systems, suggesting its utility in developing enzyme inhibitors.

Furthermore, the compound's physicochemical properties, including its solubility and stability, have been characterized in detail. Researchers have found that 3,7-Diazabicyclo[3.3.1]nonane, 3,7-dibutyl- exhibits good solubility in organic solvents, which is advantageous for its use in synthetic chemistry. Stability studies under various pH conditions have also been conducted, providing valuable data for its potential formulation in pharmaceutical products.

Another area of interest is the application of 3,7-Diazabicyclo[3.3.1]nonane, 3,7-dibutyl- in material science. Its ability to act as a ligand in coordination chemistry has been explored, with promising results in the development of new metal-organic frameworks (MOFs). These MOFs exhibit unique properties, such as high porosity and thermal stability, making them suitable for gas storage and separation technologies.

In conclusion, the recent research on 3,7-Diazabicyclo[3.3.1]nonane, 3,7-dibutyl- (CAS: 58324-90-6) underscores its versatility and potential across multiple scientific disciplines. Continued investigation into its synthesis, properties, and applications is expected to yield further breakthroughs, particularly in drug development and material science. The compound's unique structural features and functional groups position it as a valuable building block for future innovations in chemical biology and pharmaceutical research.

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