structure of 3-Benzyl-9,9-dimethoxy-3-azabicyclo[3.3.1]nonane

3-Benzyl-9,9-dimethoxy-3-azabicyclo[3.3.1]nonane

CAS No.: 1000931-10-1
M. Wt: 275.38600
M. Fa: C17H25NO2
InChI Key: UQUYBDDFLUHQSM-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 1000931-10-1

CAS Number

1000931-10-1

IUPAC Name

3-benzyl-9,9-dimethoxy-3-azabicyclo[3.3.1]nonane

InChI

InChI=1S/C17H25NO2/c1-19-17(20-2)15-9-6-10-16(17)13-18(12-15)11-14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-13H2,1-2H3

InChIKey

UQUYBDDFLUHQSM-UHFFFAOYSA-N

Canonical SMILES

COC1(C2CCCC1CN(C2)CC3=CC=CC=C3)OC

Physical and chemical properties of 1000931-10-1

Exact Mass

275.18900

LogP

2.84550

Molecular Formula

C17H25NO2

Molecular Weight

275.38600

PSA

21.70000

Applications of 1000931-10-1

The unique structure of 3-benzyl-9,9-dimethoxy-3-azabicyclo[3.3.1]nonane lends itself to various applications:

  • Pharmaceutical Development: Potential lead compounds for drug development targeting CNS disorders or infections.
  • Catalysis: Investigated for use in catalyzing oxidation reactions due to its stable radical properties.
  • Material Science: Could serve as precursors for developing novel materials with specific electronic or optical properties.

Interaction Studies of 1000931-10-1

Interaction studies have shown that azabicyclic compounds can interact with various biological targets, including:

  • Receptors: Binding affinity studies reveal interactions with neurotransmitter receptors, suggesting potential roles as modulators or antagonists.
  • Enzymes: Some derivatives may inhibit enzymes involved in metabolic pathways, providing insights into their therapeutic potential.

Biological Activity of 1000931-10-1

Research indicates that compounds with similar azabicyclo structures exhibit a range of biological activities, including:

  • Antimicrobial Properties: Some derivatives show efficacy against various bacterial strains.
  • CNS Activity: Azabicyclic compounds are often explored for their neuropharmacological effects, potentially acting as modulators of neurotransmitter systems.
  • Antitumor Activity: Preliminary studies suggest that such compounds may possess cytotoxic properties against certain cancer cell lines.

Retrosynthesis analysis of 1000931-10-1

  • Route#1

    Cas:104247-86-1
    Cas:108-94-1
    Cas:1000931-10-1