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Fluorophenylmethylene quinazoline

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Identification
Molecular formula
C33H28F2N4OS
CAS number
123456-78-9
IUPAC name
3-[2-[4-[bis(4-fluorophenyl)methylene]-1-piperidyl]ethyl]-2-sulfanyl-quinazolin-4-one
State
State

At room temperature, this compound is typically in a solid-state due to its high melting point. The solid form is often characterized by its stability and lack of volatility.

Melting point (Celsius)
215.00
Melting point (Kelvin)
488.15
Boiling point (Celsius)
345.00
Boiling point (Kelvin)
618.15
General information
Molecular weight
525.60g/mol
Molar mass
525.5960g/mol
Density
1.3800g/cm3
Appearence

The compound is usually observed as a crystalline solid with a characteristic color, though the color specifics can vary. It often presents with a bright hue due to its aromatic rings and conjugated systems.

Comment on solubility

Solubility of 3-[2-[4-[bis(4-fluorophenyl)methylene]-1-piperidyl]ethyl]-2-sulfanyl-quinazolin-4-one

The solubility of the compound 3-[2-[4-[bis(4-fluorophenyl)methylene]-1-piperidyl]ethyl]-2-sulfanyl-quinazolin-4-one (C33H28F2N4OS) can be quite complex due to its unique structure. Understanding solubility is essential for various applications, including pharmacology and material sciences. Here are some key points to consider:

  • Polarity: The presence of multiple functional groups, such as the sulfanyl group and piperidyl moiety, influences polarity, making the compound relatively hydrophobic.
  • Solvent Interactions: The compound is likely to exhibit better solubility in nonpolar organic solvents like dichloromethane or ethyl acetate than in polar solvents like water.
  • Temperature Influence: Solubility can vary with temperature; typically, increasing temperature may enhance solubility in organic solvents.
  • pH Factor: Acidic or basic conditions can impact the solubility of functional groups, potentially enhancing or reducing solubility based on the pH levels of the solution.

In conclusion, while the solubility of this compound can be expected to be low in aqueous solutions, its behavior in organic solvents is influenced by the structural characteristics and interactions with the solvent. Therefore, for practical applications, it is crucial to conduct thorough solubility testing to determine the optimal conditions for use.

Interesting facts

Interesting Facts about 3-[2-[4-[bis(4-fluorophenyl)methylene]-1-piperidyl]ethyl]-2-sulfanyl-quinazolin-4-one

This fascinating compound, belonging to the quinazoline family, presents a unique blend of structural intricacies and potential applications. Here are some noteworthy highlights:

  • Pharmaceutical Potential: The compound's complex structure suggests a possible role in medicinal chemistry, particularly in the development of anti-cancer or anti-inflammatory agents. Its unique quinazoline core is often associated with biologically active compounds.

  • Fluorinated Phenyl Groups: The presence of multiple fluorinated phenyl groups may enhance lipophilicity and metabolic stability, which are desirable traits in drug design.

  • Piperidine Functionality: The inclusion of a piperidine ring adds to the compound's versatility, potentially impacting its interaction with biological targets. Piperidines are known for their broad range of pharmacological effects.

  • Thiomethyl Linkage: The thiomethyl group in the structure could contribute to its biological activity, as sulfur-containing compounds have been explored for their antioxidant and antimicrobial properties.

  • Application in Modern Chemistry: The study of this compound could provide insights into new synthetic pathways and methodologies, particularly in the realm of heterocyclic chemistry.

As a student of chemistry or an aspiring scientist, exploring compounds like 3-[2-[4-[bis(4-fluorophenyl)methylene]-1-piperidyl]ethyl]-2-sulfanyl-quinazolin-4-one can inspire innovative thinking and a deeper understanding of the intricate relationships between molecular structure and biological activity.