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Trazodone Hydrochloride

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Identification
Molecular formula
C19H23ClF4NO
CAS number
25332-39-2
IUPAC name
1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-1-yl]butan-1-one;chloride
State
State

At room temperature, trazodone hydrochloride is in a solid state, usually appearing as crystalline powder.

Melting point (Celsius)
178.00
Melting point (Kelvin)
451.15
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
408.86g/mol
Molar mass
408.2900g/mol
Density
1.5280g/cm3
Appearence

Trazodone hydrochloride is usually found as a white to off-white crystalline powder. It is soluble in water and may appear as fine crystals or powder depending on the level of purification and processing.

Comment on solubility

Solubility of 1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-1-yl]butan-1-one; chloride

The solubility of 1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-1-yl]butan-1-one; chloride is influenced by several factors due to its complex molecular structure. Here are some key points to consider:

  • Ionic Nature: As a chloride salt, the compound exhibits good solubility in polar solvents, particularly water, due to ion-dipole interactions.
  • Influence of Functional Groups: The presence of multiple functional groups, such as hydroxy and trifluoromethyl, can enhance solubility in organic solvents, making it more soluble in ethanol and methanol.
  • Temperature Dependence: Solubility can vary with temperature. Generally, increasing the temperature will lead to increased solubility.
  • Predictive Models: Solubility can often be estimated using computational models and QSAR (Quantitative Structure-Activity Relationship) approaches, which account for the compound’s structure and potential solvent interactions.

In summary, while this compound likely demonstrates good solubility characteristics, particularly in polar solvents, the exact solubility can vary significantly based on environmental conditions and solvent choice. Experimentation and solubility assays are essential for precise measurements.

Interesting facts

Interesting Facts about 1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-1-yl]butan-1-one;chloride

This compound is a fascinating member of the chemical family known as quaternary ammonium salts. With its unique structure, it boasts a variety of intriguing properties and potential applications that are worth exploring.

Key Features

  • Pharmacological Potential: Compounds like this one are often investigated for their potential pharmacological effects, particularly in the realm of neuropharmacology. The presence of piperidine rings can lead to interesting interactions with neurotransmitter receptors.
  • Fluorine Substituents: The incorporation of fluorine atoms, such as in the 4-fluorophenyl and trifluoromethyl groups, greatly influences the compound's reactivity and bioactivity. Fluorinated compounds are known to exhibit unique properties including increased lipophilicity and metabolic stability.
  • Ion Exchange: As a quaternary ammonium compound, this substance can engage in ion exchange reactions, making it useful in various chemical applications, including those aimed at purification and separation processes.

Chemical Versatility

This compound's structural makeup allows for a diverse range of chemical transformations. The hydroxyl group can serve as a site for further derivatization, enabling chemists to modify the compound for specific uses. Such transformations could lead to enhanced efficacy in drug design or improved interaction with biological targets.

Conclusion

In summary, 1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-ium-1-yl]butan-1-one;chloride stands out as a compound with significant potential in various fields, including medicinal chemistry and materials science. Its complex structure and functional groups provide a rich platform for scientific inquiry and application. This makes it a valuable subject of study for both students and seasoned researchers alike.

Synonyms
Butyrophenone, 4'-fluoro-4-(4-hydroxy-4-(alpha,alpha,alpha-trifluoro-m-tolyl)piperidino)-, hydrochloride
D08637