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1-[3-[3-(2-nitrophenyl)allyl]-3,6-diazabicyclo[3.2.1]octan-6-yl]propan-1-one

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Identification
Molecular formula
C18H23N3O3
CAS number
154098-04-7
IUPAC name
1-[3-[3-(2-nitrophenyl)allyl]-3,6-diazabicyclo[3.2.1]octan-6-yl]propan-1-one
State
State

At room temperature, the compound is in a solid state.

Melting point (Celsius)
73.50
Melting point (Kelvin)
346.65
Boiling point (Celsius)
327.50
Boiling point (Kelvin)
600.65
General information
Molecular weight
315.37g/mol
Molar mass
315.3690g/mol
Density
1.2700g/cm3
Appearence

The compound appears as a white crystalline solid.

Comment on solubility

Solubility of 1-[3-[3-(2-nitrophenyl)allyl]-3,6-diazabicyclo[3.2.1]octan-6-yl]propan-1-one

The solubility of 1-[3-[3-(2-nitrophenyl)allyl]-3,6-diazabicyclo[3.2.1]octan-6-yl]propan-1-one can be characterized by several important factors:

  • Solvent Compatibility: This compound is likely to exhibit variable solubility in different solvents due to its complex structure. Generally, compounds containing a nitrophenyl group tend to show better solubility in polar organic solvents, such as methanol or ethanol.
  • Hydrophobic and Hydrophilic Balance: The presence of the diazabicyclo structure introduces both hydrophobic (non-polar) and hydrophilic (polar) characteristics, which can influence solubility. This means it may dissolve well in mixed solvent systems.
  • Temperature Influence: Increased temperature typically enhances solubility; thus, carrying out solubility tests at various temperatures could yield insightful results.
  • pH Sensitivity: The solubility could also be influenced by the pH of the solution, especially if the compound has ionizable functional groups.

In conclusion, to accurately assess the solubility of this compound, it is advisable to conduct empirical studies in multiple solvents under controlled conditions. As one popular saying in chemistry goes, “like dissolves like,” which serves as a useful guideline when predicting the solubility behavior of this compound in various environments.

Interesting facts

Exploring 1-[3-[3-(2-Nitrophenyl)allyl]-3,6-diazabicyclo[3.2.1]octan-6-yl]propan-1-one

1-[3-[3-(2-nitrophenyl)allyl]-3,6-diazabicyclo[3.2.1]octan-6-yl]propan-1-one is a fascinating compound that embodies various aspects of synthetic chemistry and medicinal applications.

Unique Structural Features

This compound's intricate structure features a bicyclic framework, specifically a diazabicyclo system, which underscores the diversity of natural and synthetic alkaloids. Here are some key structural highlights:

  • Bicyclic System: The bicyclo[3.2.1]octane framework provides unique steric and electronic properties.
  • Nitrophenyl Group: The presence of a 2-nitrophenyl substituent contributes to the compound's reactivity and potential biological activity.
  • Allyl Side Chain: The allyl group suggests potential for further functionalization, making this compound a valuable intermediate in organic synthesis.

Potential Applications

Due to its unique composition, this compound may play a role in various fields:

  • Pharmaceutical Development: It holds promise in drug discovery, particularly in designing agents targeting specific biological pathways.
  • Agricultural Chemistry: Compounds with similar structural motifs often exhibit herbicidal or insecticidal properties.
  • Material Science: Its structural complexity may enable novel materials with specialized properties.

Chemical Reactions

The versatile nature of this compound allows it to participate in various chemical reactions, making it a prime candidate for investigations in:

  • Cross-Coupling Reactions: The presence of functional groups can enable effective coupling with other reactants.
  • Nucleophilic Substitution: The nitrogen atoms in the bicyclic structure may be involved in several substitution reactions.
  • Reduction and Oxidation: Potential to undergo redox reactions, showcasing its versatility as a reactant.

In summary, 1-[3-[3-(2-nitrophenyl)allyl]-3,6-diazabicyclo[3.2.1]octan-6-yl]propan-1-one stands out not just for its intricate chemical structure but also for the myriad possibilities it offers in research and application. As scientists explore its properties, we can anticipate exciting advancements that stem from this compound!