Cas no 1373273-51-8 (3,?6-?Diazabicyclo[3.2.2]?nonane, 3-?(phenylmethyl)?-)

3,6-Diazabicyclo[3.2.2]nonane, 3-(phenylmethyl)-, is a bicyclic amine derivative characterized by its rigid molecular framework and nitrogen-containing heterocyclic structure. The compound’s unique scaffold, featuring a diazabicyclo[3.2.2]nonane core, imparts steric and electronic properties suitable for applications in medicinal chemistry and catalysis. The phenylmethyl substitution at the 3-position enhances its potential as a versatile intermediate or ligand in asymmetric synthesis. Its stability and structural rigidity make it advantageous for designing pharmacologically active molecules or as a building block in complex organic transformations. The compound’s well-defined stereochemistry further supports its utility in precision chemical synthesis.
3,?6-?Diazabicyclo[3.2.2]?nonane, 3-?(phenylmethyl)?- structure
1373273-51-8 structure
Product Name:3,?6-?Diazabicyclo[3.2.2]?nonane, 3-?(phenylmethyl)?-
CAS No:1373273-51-8
MF:C14H20N2
MW:216.322003364563
MDL:MFCD28530988
CID:2094660
PubChem ID:22573916
Update Time:2025-10-29

3,?6-?Diazabicyclo[3.2.2]?nonane, 3-?(phenylmethyl)?- Chemical and Physical Properties

Names and Identifiers

    • 3,?6-?Diazabicyclo[3.2.2]?nonane, 3-?(phenylmethyl)?-
    • 3,?6-?Diazabicyclo[3.2.2]?nonane, 3-?(phenylmethyl)?-
    • 3-benzyl-3,6-diazabicyclo[3.2.2]nonane
    • EN300-7193263
    • AT25025
    • 1373273-51-8
    • YEC27351
    • SCHEMBL2954921
    • 3,6-Diazabicyclo[3.2.2]nonane, 3-(phenylmethyl)-
    • MDL: MFCD28530988
    • Inchi: 1S/C14H20N2/c1-2-4-12(5-3-1)9-16-10-13-6-7-14(11-16)15-8-13/h1-5,13-15H,6-11H2
    • InChI Key: JVKNKFDGLBRQPB-UHFFFAOYSA-N
    • SMILES: N1(CC2C=CC=CC=2)CC2CCC(CN2)C1

Computed Properties

  • Exact Mass: 216.162648646Da
  • Monoisotopic Mass: 216.162648646Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 223
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 15.3?2

3,?6-?Diazabicyclo[3.2.2]?nonane, 3-?(phenylmethyl)?- Pricemore >>

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Additional information on 3,?6-?Diazabicyclo[3.2.2]?nonane, 3-?(phenylmethyl)?-

Introduction to 3,6-Diazabicyclo[3.2.2]nonane, 3-(phenylmethyl)- (CAS No. 1373273-51-8)

3,6-Diazabicyclo[3.2.2]nonane, 3-(phenylmethyl)-, is a highly intriguing compound in the realm of organic chemistry and pharmaceutical research. With the CAS number 1373273-51-8, this molecule has garnered significant attention due to its unique structural properties and potential applications in drug development. The bicyclic framework of this compound, consisting of three rings connected in a specific manner, imparts distinct chemical and biological characteristics that make it a subject of intense study.

The diazabicyclo[3.2.2]nonane core structure is particularly noteworthy for its rigid conformation and the presence of two nitrogen atoms within the bicyclic system. This arrangement not only influences the compound's reactivity but also opens up possibilities for diverse interactions with biological targets. The phenylmethyl substituent at the 3-position further modulates the electronic and steric properties of the molecule, making it a versatile scaffold for medicinal chemists.

In recent years, there has been a growing interest in bicyclic compounds as pharmacophores due to their ability to mimic natural product scaffolds and exhibit high binding affinity. The diazabicyclo[3.2.2]nonane motif, in particular, has been explored in various drug discovery programs for its potential to interact with enzymes and receptors involved in critical biological pathways. Studies have shown that such structures can exhibit remarkable stability and bioavailability, which are crucial factors in drug design.

One of the most compelling aspects of 3,6-Diazabicyclo[3.2.2]nonane, 3-(phenylmethyl)-, is its role as a key intermediate in synthesizing more complex molecules. Researchers have leveraged this compound to develop novel inhibitors targeting diseases such as cancer, inflammation, and neurological disorders. The rigidity provided by the bicyclic system allows for precise tuning of molecular interactions, enabling the creation of highly selective drugs with minimal side effects.

The phenylmethyl group, also known as benzylmethyl, contributes to the compound's solubility and metabolic stability, making it an attractive candidate for further development. This substituent can also serve as a handle for additional functionalization, allowing chemists to explore a wide range of derivatives with tailored properties. The combination of these features makes 3,6-Diazabicyclo[3.2.2]nonane, 3-(phenylmethyl)-, a promising building block in synthetic chemistry.

Recent advancements in computational chemistry have further enhanced our understanding of this compound's behavior. Molecular modeling studies have revealed insights into how the diazabicyclo[3.2.2]nonane core interacts with biological targets, providing valuable guidance for rational drug design. These simulations have identified key pharmacophoric elements that can be optimized to improve potency and selectivity.

In addition to its pharmaceutical applications, 3,6-Diazabicyclo[3.2.2]nonane, 3-(phenylmethyl)-, has shown potential in material science research due to its unique structural features. The rigid bicyclic framework can be exploited to design novel polymers and materials with enhanced mechanical properties and thermal stability. Such materials could find applications in industries ranging from aerospace to electronics.

The synthesis of this compound presents an intriguing challenge due to its complex structure. However, recent methodologies have made significant strides in simplifying the synthetic route while maintaining high yields and purity standards. These advancements have democratized access to diazabicyclo[3.2.2]nonane derivatives, enabling more researchers to explore their potential applications.

Looking ahead, the future prospects for 3,6-Diazabicyclo[3.2.2]nonane, 3-(phenylmethyl)-, are bright and multifaceted. Ongoing research aims to uncover new therapeutic uses and expand its applications into other fields such as agrochemicals and specialty chemicals. As our understanding of this compound grows, so too will its impact on science and industry.

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