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Fluorophenyl azepinoindole ketone

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Identification
Molecular formula
C22H23FN2O
CAS number
107732-60-3
IUPAC name
1-(4-fluorophenyl)-4-(2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)butan-1-one
State
State

The compound is in a solid state at room temperature, maintaining its form under standard atmospheric pressure.

Melting point (Celsius)
173.00
Melting point (Kelvin)
446.15
Boiling point (Celsius)
454.00
Boiling point (Kelvin)
727.15
General information
Molecular weight
337.40g/mol
Molar mass
337.4020g/mol
Density
1.3650g/cm3
Appearence

The compound is typically characterized by a crystalline solid appearance, exhibiting colorlessness to a slight yellowish hue depending on the degree of purity and ambient conditions. It is generally finely powdered or a crystallo-grain substance.

Comment on solubility

Solubility Profile of 1-(4-fluorophenyl)-4-(2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)butan-1-one

The solubility of this complex compound, 1-(4-fluorophenyl)-4-(2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)butan-1-one, can be influenced by various factors. Its solubility characteristics suggest that it is likely to be:

  • Moderately soluble in organic solvents, owing to its significant hydrophobic regions.
  • Poorly soluble in water due to the presence of bulky and aromatic groups, which hinder intermolecular interactions with water molecules.

As with many compounds that possess large, complex structures, the solubility is influenced by:

  1. Molecular weight: Higher molecular weights generally correlate with lower solubility in polar solvents, such as water.
  2. Polarity: The presence of non-polar aromatic groups may diminish the overall polarity, further decreasing solubility in aqueous solutions.
  3. Hydrogen bonding: The potential for hydrogen bonding with solvents can greatly affect solubility; however, in this case, the hydrophobic components dominate.

In conclusion, while experimental data is essential for precise solubility measurements, predictions suggest that 1-(4-fluorophenyl)-4-(2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)butan-1-one may exhibit limited solubility in polar solvents and be more compatible with non-polar environments. This highlights the importance of solvent choice in applications involving this compound.

Interesting facts

Interesting Facts about 1-(4-fluorophenyl)-4-(2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)butan-1-one

This compound is a fascinating example of medicinal chemistry due to its unique structural features and potential biological activities. Here are some intriguing points about it:

  • Diverse Structural Elements: The compound contains both a fluoro-substituted phenyl group and a complex azepinoindole moiety, showcasing the creativity involved in designing new molecules.
  • Potential Therapeutic Applications: Compounds with similar frameworks have shown promise in pharmacological research, particularly in areas such as neuropsychopharmacology and oncology, suggesting its potential as a lead compound for new drug development.
  • Synthetic Challenges: The synthesis of such a complex molecule usually involves multiple steps including strategic functional group modifications and condensation reactions, making it an interesting topic for synthetic chemists.
  • Mechanistic Insights: The presence of the tetrahydro-azepino group may influence the compound's ability to interact with biological targets, offering insights into structure-activity relationships.
  • Research Interest: Compounds of this nature are often the subject of research in medicinal chemistry due to their potential roles in influencing neurotransmitter pathways, thus highlighting the importance of interdisciplinary studies.

"Understanding the intricate balance of structure and function in drug design is essential for the discovery of novel therapies." This compound exemplifies that principle, and its study may open new avenues for therapeutic interventions.

In conclusion, 1-(4-fluorophenyl)-4-(2,4,5,6-tetrahydro-1H-azepino[4,5-b]indol-3-yl)butan-1-one stands at the intersection of innovative chemistry and potential clinical application, making it a rich subject of ongoing scientific inquiry.

Synonyms
23712-07-4
BRN 0963875
U 25927
4'-Fluoro-4-(1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)butyrophenone
DTXSID00178379
1-Butanone, 1-(4-fluorophenyl)-4-(1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-
BUTYROPHENONE, 4'-FLUORO-4-(1,4,5,6-TETRAHYDROAZEPINO(4,5-b)INDOL-3(2H)-YL)-
1-Butanone, 1-(4-fluorophenyl)-4-(1,4,5,6-tetrahydroazepino[4,5-b]indol-3(2H)-yl)-
RefChem:228851
DTXCID80100870
1-Butanone, 1-(4-fluorophenyl)-4-(1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)-(9CI)
1-(4-Fluorophenyl)-4-(1,4,5,6-tetrahydroazepino[4,5-b]indol-3(2H)-yl)-1-butanone
9WWJ439NBY
1-Butanone, 1-(4-fluorophenyl)-4-(1,4,5,6-tetrahydroazepino(4,5-b)indol-3(2H)-yl)- (9CI)
4'-Fluoro-4-(1,4,5,6-tetrahydroazepino[4,5-b]indol-3-(2H)-yl)butyrophenone