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4-(3a,4,7,7a-tetrahydro-1H-isoindol-2-ium-2-yl)-1-(4-fluorophenyl)butan-1-one

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Identification
Molecular formula
C18H20FNO
CAS number
137123-89-4
IUPAC name
4-(3a,4,7,7a-tetrahydro-1H-isoindol-2-ium-2-yl)-1-(4-fluorophenyl)butan-1-one
State
State

At room temperature, this compound is typically in a solid state.

Melting point (Celsius)
118.00
Melting point (Kelvin)
391.00
Boiling point (Celsius)
372.50
Boiling point (Kelvin)
645.70
General information
Molecular weight
293.37g/mol
Molar mass
293.3700g/mol
Density
1.1800g/cm3
Appearence

This compound typically appears as a powder or crystalline solid. The physical appearance can vary slightly based on purity and specific polymorphic form.

Comment on solubility

Solubility of 4-(3a,4,7,7a-tetrahydro-1H-isoindol-2-ium-2-yl)-1-(4-fluorophenyl)butan-1-one

The solubility of 4-(3a,4,7,7a-tetrahydro-1H-isoindol-2-ium-2-yl)-1-(4-fluorophenyl)butan-1-one is influenced by several key factors:

  • Polarity: The presence of polar functional groups generally increases solubility in polar solvents.

  • Hydrogen Bonding: If the compound can engage in hydrogen bonding, this often improves solubility in water.

  • Structural Complexity: The structural intricacies of this compound may lead to challenges in solubility, particularly in water.

  • Solvent Interaction: The specific interactions with various solvents (e.g., organic vs. aqueous) significantly affect solubility.

It's important to note that:

  • Given its isoindol-2-ium structure, the compound may exhibit better solubility in non-polar organic solvents.

  • Conversely, its solubility in water may be limited due to potential hydrophobic regions within the molecular structure.

As a conclusion, "understanding the solubility behavior of this complex compound is essential for its application and formulation in various fields."

Interesting facts

Interesting Facts about 4-(3a,4,7,7a-tetrahydro-1H-isoindol-2-ium-2-yl)-1-(4-fluorophenyl)butan-1-one

This fascinating compound, a member of the isoindole family, has sparked interest due to its unique structure and potential applications in medicinal chemistry. Here are some key highlights:

  • Molecular Structure: The presence of a tetrahydro-isoindole core alons with a butanone component showcases a complex arrangement that may provide interesting properties and biological activities.
  • Pharmacological Potential: Compounds containing the isoindole moiety are widely explored for their potential therapeutic effects, including their role in treating neurodegenerative diseases and mental health disorders. The incorporation of a fluorophenyl group may enhance the compound’s biological profile.
  • Synthetic Chemistry: Synthesizing such compounds often involves intricate organic reactions. The ability to create various derivatives allows chemists to modify biological activity, leading to new drug candidates with improved efficacy and selectivity.
  • Research Implications: Ongoing studies focus on how such compounds interact with various biological pathways. With advances in structural biology, the potential to elucidate their mechanism of action becomes more promising.
  • Future Applications: There is an ongoing interest in modifying these structures to enhance their properties, targeting specific receptors in the body, particularly in cancer and psychiatric research.

In conclusion, 4-(3a,4,7,7a-tetrahydro-1H-isoindol-2-ium-2-yl)-1-(4-fluorophenyl)butan-1-one not only represents a complex chemical entity but also illustrates the dynamic interplay between structure and function in drug design. As researchers continue to explore its properties, the compound could pave the way for novel therapeutic agents.